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 |