1I4G
Crystal structure of Staphylococcal enterotoxin A mutant H187A with reduced Zn2+ affinity
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 1996-07-17 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.660, 84.830, 86.350 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.100 |
Rwork | 0.178 |
R-free | 0.23900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1esf |
RMSD bond length | 0.017 |
RMSD bond angle | 24.600 * |
Data reduction software | AUTOMAR |
Data scaling software | XDS |
Phasing software | AMoRE |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.300 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.070 | 0.250 |
Total number of observations | 158044 * | |
Number of reflections | 30705 | |
<I/σ(I)> | 14.2 | 1.6 |
Completeness [%] | 95.2 | 92.7 |
Redundancy | 5.1 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 8 * | 298 | drop was mixed with an equal volume of reservoir solution * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | drop | tricine | 20 (mM) | |
3 | 1 | reservoir | PEG8000 | 15 (%(w/v)) | |
4 | 1 | reservoir | 200 (mM) | ||
5 | 1 | reservoir | PIPES | 100 (mM) |