3BM8
crystal structure of YopH mutant D356A complexed with irreversible inhibitor PVSN
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F2 |
Synchrotron site | CHESS |
Beamline | F2 |
Temperature [K] | 100 |
Detector technology | CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.534, 54.611, 95.758 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.700 |
Rwork | 0.179 |
R-free | 0.27800 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1pa9 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.350 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.700 |
Rmerge | 0.098 |
Number of reflections | 6365 |
Completeness [%] | 86.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 25% PEG3350, 100 mM NaCl, 100 mM HEPES, pH7.0-8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |