BMRB Entry 15380
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15380
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Citation: Frericks-Schmidt, Heather; Sperling, Lindsay; Gao, YiGui; Wylie, Benjamin; Boettcher, John; Wilson, Scott; Rienstra, Chad. "Crystal Polymorphism of Protein GB1 Examined by Solid-State NMR Spectroscopy and X-ray Diffraction" J. Phys. Chem. B 111, 14362-14369 (2007).
PubMed: 18052145
Assembly members:
GB1, polymer, 56 residues, 6900 Da.
Natural source: Common Name: Staphylococcus sp. group G Taxonomy ID: 1320 Superkingdom: Bacteria Kingdom: not available Genus/species: Staphylococcus group G
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: synthetic GB1 T2Q (Smith, Withka, Regan, Biochemistry 1994, 33, 5510-5517 )
Entity Sequences (FASTA):
GB1: MQYKLILNGKTLKGETTTEA
VDAATAEKVFKQYANDNGVD
GEWTYDDATKTFTVTE
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 483 |
| 15N chemical shifts | 135 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | GB1 | 1 |
Entities:
Entity 1, GB1 56 residues - 6900 Da.
| 1 | MET | GLN | TYR | LYS | LEU | ILE | LEU | ASN | GLY | LYS | ||||
| 2 | THR | LEU | LYS | GLY | GLU | THR | THR | THR | GLU | ALA | ||||
| 3 | VAL | ASP | ALA | ALA | THR | ALA | GLU | LYS | VAL | PHE | ||||
| 4 | LYS | GLN | TYR | ALA | ASN | ASP | ASN | GLY | VAL | ASP | ||||
| 5 | GLY | GLU | TRP | THR | TYR | ASP | ASP | ALA | THR | LYS | ||||
| 6 | THR | PHE | THR | VAL | THR | GLU |
Samples:
formulation_D: GB1, [U-100% 13C; U-100% 15N], 15 mg
formulation_E: GB1, [U-99% 13C; U-99% 15N], 17 mg
sample_conditions_1: pressure: 1 atm; temperature controller setting: 273 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D N(CA)CX | formulation_D | solid | sample_conditions_1 |
| 2D N(CO)CX | formulation_D | solid | sample_conditions_1 |
| 3D NCACX | formulation_D | solid | sample_conditions_1 |
| 3D NCOCX | formulation_D | solid | sample_conditions_1 |
| 2D CC DARR mixing | formulation_D | solid | sample_conditions_1 |
| 2D CC SPC5 mixing | formulation_D | solid | sample_conditions_1 |
| 2D N(CA)CX | formulation_E | solid | sample_conditions_1 |
| 2D N(CO)CX | formulation_E | solid | sample_conditions_1 |
| 3D NCACX | formulation_E | solid | sample_conditions_1 |
| 3D NCOCX | formulation_E | solid | sample_conditions_1 |
| 2D CC DARR mixing | formulation_E | solid | sample_conditions_1 |
| 2D CC SPC5 mixing | formulation_E | solid | sample_conditions_1 |
Software:
SPARKY, Goddard - chemical shift assignment
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Varian InfinityPlus 500 MHz