4UPV
Low X-ray dose structure of a Ni-A Ni-Sox mixture of the D. fructosovorans NiFe-hydrogenase L122A mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-02-26 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 64.690, 100.850, 116.700 |
Unit cell angles | 90.00, 105.96, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.520 |
R-factor | 0.12172 |
Rwork | 0.120 |
R-free | 0.15390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yqw |
RMSD bond length | 0.012 |
RMSD bond angle | 1.484 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.030 | 1.610 |
High resolution limit [Å] | 1.520 | 1.520 |
Rmerge | 0.054 | 0.392 |
Number of reflections | 220781 | |
<I/σ(I)> | 12.83 | 1.97 |
Completeness [%] | 90.6 | 59.5 |
Redundancy | 3.55 | 2.67 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 298 | VAPOR DIFFUSION, ANAEROBIC, 298 K, PEG 6000, MES, HEPES, PH 6.1 |