6GLY
[FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant C299A
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 | PIXEL |
Collection date | 2016-12-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.7349 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 89.740, 72.170, 103.050 |
Unit cell angles | 90.00, 97.40, 90.00 |
Refinement procedure
Resolution | 47.547 - 2.090 |
R-factor | 0.1694 |
Rwork | 0.167 |
R-free | 0.20860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xdc |
RMSD bond length | 0.006 |
RMSD bond angle | 0.856 |
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] | 47.547 | 47.547 | 2.140 |
High resolution limit [Å] | 2.090 | 9.350 | 2.090 |
Rmerge | 0.121 | 0.065 | 0.809 |
Rmeas | 0.131 | ||
Total number of observations | 501805 | ||
Number of reflections | 73106 | ||
<I/σ(I)> | 10.19 | 25.96 | 2.03 |
Completeness [%] | 94.2 | 98.2 | 90.9 |
Redundancy | 6.864 | 6.011 | 6.612 |
CC(1/2) | 0.997 | 0.997 | 0.757 |
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 |