6EN9
E. coli Hydrogenase-2 (hydrogen reduced form)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-31 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 99.602, 100.540, 168.587 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 86.350 - 1.500 |
R-factor | 0.15313 |
Rwork | 0.152 |
R-free | 0.17502 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ehq |
RMSD bond length | 0.017 |
RMSD bond angle | 1.796 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 168.590 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.082 | 0.954 |
Rmeas | 0.090 | 1.053 |
Rpim | 0.039 | 0.439 |
Number of reflections | 267144 | 13008 |
<I/σ(I)> | 10.9 | 1.6 |
Completeness [%] | 99.2 | 98.2 |
Redundancy | 5.4 | 5.5 |
CC(1/2) | 0.998 | 0.714 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.7 | 296 | 100 mM Bis-tris pH 5.5-5.9, 18-22 % (w/v) PEG 3350, 200 mM MgCl2 |