3BLU
crystal structure YopH complexed with inhibitor PVS
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 |
Collection date | 2004-04-15 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.849, 54.092, 96.926 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.000 |
Rwork | 0.205 |
R-free | 0.25300 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3blt |
RMSD bond length | 0.005 |
RMSD bond angle | 1.280 |
Data reduction software | DENZO |
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] | 2.000 |
Rmerge | 0.097 |
Number of reflections | 17150 |
Completeness [%] | 94.6 |
Redundancy | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 25% w/v poly(ethylene glycol) 3350, 100 mM NaCl ,and 100 mM HEPES buffer (pH7.5), VAPOR DIFFUSION, HANGING DROP, temperature 298K |