6GM8
[FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant E282Q
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 | 2015-06-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.000060 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 89.650, 72.340, 103.150 |
Unit cell angles | 90.00, 96.73, 90.00 |
Refinement procedure
Resolution | 46.832 - 1.960 |
R-factor | 0.1786 |
Rwork | 0.176 |
R-free | 0.22110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xdc |
RMSD bond length | 0.011 |
RMSD bond angle | 1.125 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.769 | 47.770 | 2.010 |
High resolution limit [Å] | 1.960 | 8.770 | 1.960 |
Rmerge | 0.158 | 0.076 | 0.910 |
Number of reflections | 92827 | ||
<I/σ(I)> | 7.93 | 19.86 | 1.99 |
Completeness [%] | 98.5 | 99 | 97.5 |
Redundancy | 6.75 | ||
CC(1/2) | 0.993 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 20% PEG 4000, 0.4 M MgCl2,0.1 M MES, 20 % glycerol |