4URH
High-resolution structure of partially oxidized D. fructosovorans NiFe-hydrogenase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-05-08 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 62.530, 99.820, 182.420 |
Unit cell angles | 90.00, 92.46, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.440 |
R-factor | 0.14381 |
Rwork | 0.142 |
R-free | 0.18526 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yqw |
RMSD bond length | 0.012 |
RMSD bond angle | 1.353 |
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] | 29.800 | 1.530 |
High resolution limit [Å] | 1.440 | 1.440 |
Rmerge | 0.062 | 0.692 |
Number of reflections | 400635 | |
<I/σ(I)> | 9.39 | 1.29 |
Completeness [%] | 99.3 | 97.6 |
Redundancy | 3.67 | 3.42 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 298 | VAPOR DIFFUSION, GLOVE BOX, 298K, PEG6000, MES, HEPES, DTT, DITHIONITE, PH 6.1 |