3GYX
Crystal structure of adenylylsulfate reductase from Desulfovibrio gigas
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-07-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 199.629, 199.629, 317.422 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 3.200 |
| R-factor | 0.1949 |
| Rwork | 0.192 |
| R-free | 0.24497 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jnr |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.048 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.210 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.102 | 0.410 |
| Number of reflections | 122146 | |
| <I/σ(I)> | 13.63 | 3.64 |
| Completeness [%] | 92.0 | 93.9 |
| Redundancy | 4.3 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.4 | 291 | 2M ammonium sulfate, 0.1M Tris, 1M guanidine hydrochloride, 0.2M sodium chloride, pH7.4, VAPOR DIFFUSION, temperature 291K |
