4Z6B
YopH W354H Yersinia enterocolitica PTPase in the apo form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-3 |
Synchrotron site | SSRL |
Beamline | BL9-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-07-18 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97946 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.888, 60.512, 89.358 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.200 |
R-factor | 0.141 |
Rwork | 0.140 |
R-free | 0.15900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3f99 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.345 |
Data reduction software | AUTOMAR |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.240 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.096 | 0.530 |
Number of reflections | 90707 | |
<I/σ(I)> | 24.9 | 5.2 |
Completeness [%] | 99.4 | 97.4 |
Redundancy | 14.1 | 12.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | PEG 3350, HEPES |