1CQV
CRYSTAL STRUCTURE OF STAPHYLOCOCCAL ENTEROTOXIN C2 AT 100K CRYSTALLIZED AT PH 5.0
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12B |
Synchrotron site | NSLS |
Beamline | X12B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1997-07-17 |
Detector | ADSC QUANTUM |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 42.683, 42.683, 289.149 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 12.500 - 2.060 |
R-factor | 0.208 * |
Rwork | 0.208 |
R-free | 0.28000 |
Structure solution method | MOLECULAR REPLACEMEN |
Starting model (for MR) | 1se2 |
RMSD bond length | 0.187 |
RMSD bond angle | 0.206 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.120 |
High resolution limit [Å] | 2.060 | 2.050 |
Rmerge | 0.030 | 0.050 * |
Total number of observations | 82018 * | |
Number of reflections | 16187 | |
<I/σ(I)> | 33.6 | |
Completeness [%] | 91.1 * | 48 * |
Redundancy | 5.0 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, sitting drop * | 5 | 291 | 20% PEG 8000, 0.2M MAGNESIUM ACETATE, 0.1M CACODYLATE AT PH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 5 (mg/ml) | |
2 | 1 | reservoir | PEG8000 | 20 (%) | |
3 | 1 | reservoir | magnesium acetate | 0.2 (M) | |
4 | 1 | reservoir | sodium cacodylate | 0.1 (M) |