6GM1
[FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant E282A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-03-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97863 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 89.990, 72.960, 102.930 |
Unit cell angles | 90.00, 96.32, 90.00 |
Refinement procedure
Resolution | 48.087 - 2.050 |
R-factor | 0.1693 |
Rwork | 0.167 |
R-free | 0.20540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xdc |
RMSD bond length | 0.003 |
RMSD bond angle | 0.684 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.087 | 48.087 | 2.100 |
High resolution limit [Å] | 2.050 | 9.170 | 2.050 |
Rmerge | 0.095 | 0.020 | 0.581 |
Number of reflections | 82662 | ||
<I/σ(I)> | 9.86 | 45.53 | 1.99 |
Completeness [%] | 98.6 | 96.9 | 98 |
Redundancy | 2.86 | ||
CC(1/2) | 0.995 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 21% PEG 4000, 0.4 M MgCl2,0.1 M MES, 19 % glycerol |