5L1N
Pyrococcus horikoshii CoA Disulfide Reductase Quadruple Mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-07-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | H 3 |
| Unit cell lengths | 191.965, 191.965, 74.866 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 95.980 - 3.600 |
| R-factor | 0.24719 |
| Rwork | 0.245 |
| R-free | 0.28984 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fx9 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.756 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 95.980 | 3.730 |
| High resolution limit [Å] | 3.600 | 3.600 |
| Rmerge | 0.466 | |
| Number of reflections | 11879 | |
| <I/σ(I)> | 22.8 | 3 |
| Completeness [%] | 99.4 | 96.8 |
| Redundancy | 5.2 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.7 | 298 | 5-100 mM sodium acetate, pH 4.7, 50-100 mM ammonium acetate, 4-8% PEG 8000, and 0.01% sodium azide |
