6GM2
[FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant E282D
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 | 89.870, 72.820, 102.910 |
Unit cell angles | 90.00, 96.86, 90.00 |
Refinement procedure
Resolution | 47.880 - 2.760 |
R-factor | 0.2234 |
Rwork | 0.221 |
R-free | 0.27570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xdc |
RMSD bond length | 0.004 |
RMSD bond angle | 0.779 |
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] | 47.880 | 47.880 | 2.830 |
High resolution limit [Å] | 2.760 | 12.340 | 2.760 |
Rmerge | 0.199 | 0.046 | 0.770 |
Rmeas | 0.222 | 0.052 | 0.868 |
Number of reflections | 34211 | 408 | 2523 |
<I/σ(I)> | 8.03 | 28.47 | 2.04 |
Completeness [%] | 99.9 | 97.4 | 100 |
Redundancy | 2.58 | ||
CC(1/2) | 0.984 | 0.998 | 0.703 |
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 |