2R61
Crystal structure of the Staphylococcal superantigen-like protein SSL5 in complex with sialyl-Lewis X at pH 7.4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 2006-11-23 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 52.223, 52.223, 236.657 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.070 - 2.750 |
R-factor | 0.21216 |
Rwork | 0.209 |
R-free | 0.26859 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1m4v |
RMSD bond length | 0.017 |
RMSD bond angle | 1.744 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.3.0037) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.164 | 2.900 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.129 | 0.484 |
Total number of observations | 10136 | |
Number of reflections | 9300 | |
<I/σ(I)> | 5 | 1.5 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.4 | 7.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 291 | 20% PEG 3340, 0.2M disodium tartrate, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 291K |