4MXM
Crystal structure of superantigen pfit
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-02-11 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97905 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 37.186, 110.998, 62.075 |
Unit cell angles | 90.00, 100.15, 90.00 |
Refinement procedure
Resolution | 29.212 - 1.950 |
R-factor | 0.2475 |
Rwork | 0.246 |
R-free | 0.26910 |
Structure solution method | SAD |
RMSD bond length | 0.002 |
RMSD bond angle | 0.547 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.700 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.060 | 0.694 |
Number of reflections | 35150 | |
<I/σ(I)> | 30.6 | 2.5 |
Completeness [%] | 97.1 | 97.1 |
Redundancy | 3.6 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 4-8% PEG 3350, 0.1 M Tris, 0.2 M ammonium acetate, 5 mM MgCl2, 5 mM DTT, 5% isopropanol, and 5% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 298K |