2YAW
HG INHIBITED SULFUR OXYGENASE REDUCTASE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 4r |
Spacegroup name | I 4 |
Unit cell lengths | 161.876, 161.876, 154.373 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.040 - 2.499 |
R-factor | 0.1669 |
Rwork | 0.162 |
R-free | 0.18250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2cb2 |
RMSD bond length | 0.017 |
RMSD bond angle | 0.974 |
Data reduction software | HKL |
Data scaling software | SCALEPACK |
Phasing software | REFMAC |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.040 | 2.530 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.080 | 0.490 |
Number of reflections | 68600 | |
<I/σ(I)> | 33.3 | 5 |
Completeness [%] | 99.9 | 98.9 |
Redundancy | 15 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | VAPOR DIFFUSION OF SITTING DROPS OF 1 MICRO LITER OF 13 MG/ML SOR IN 50 MM TRIS/HCL MIXED WITH 1 MICRO LITER OF WELL SOLUTION 0.1 M SODIUM ACETATE WITH 8% MPD AND 50 MM SODIUM CHLORIDE, AGAINST 500 ML OF WELL SOLUTION., pH 7.5 |