2YAV
ZN 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 | 162.074, 162.074, 154.237 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.201 - 1.701 |
| R-factor | 0.1623 |
| Rwork | 0.164 |
| R-free | 0.19270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cb2 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.220 |
| 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] | 38.200 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.060 | 0.460 |
| Number of reflections | 213677 | |
| <I/σ(I)> | 12 | 1.8 |
| Completeness [%] | 98.3 | 94.1 |
| Redundancy | 1.9 |
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 |
