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 |
