1I4R
CRYSTAL STRUCTURE OF STAPHYLOCOCCAL ENTEROTOXIN C2 AT 100K CRYSTALLIZED AT PH 6.5
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 |
| Wavelength(s) | 0.9780 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 42.730, 42.730, 288.540 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| R-factor | 0.201 |
| Rwork | 0.201 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1se2 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.100 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rmerge | 0.033 | 0.065 * |
| Total number of observations | 66686 * | |
| Number of reflections | 14722 | |
| <I/σ(I)> | 27.4 | |
| Completeness [%] | 83.4 | 29.7 |
| Redundancy | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | PEG 8000, magnesium acetate, cacodylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 100K |
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) |
