6GAM
Structure of E14Q variant of E. coli hydrogenase-2 (as-isolated enzyme)
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 | 2017-07-23 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 99.477, 100.471, 168.656 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 86.320 - 1.400 |
R-factor | 0.151 |
Rwork | 0.150 |
R-free | 0.17000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6eqh |
RMSD bond length | 0.015 |
RMSD bond angle | 1.709 |
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] | 168.000 | 1.420 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.104 | 1.170 |
Number of reflections | 330441 | |
<I/σ(I)> | 9.4 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.2 | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 296 | 100 mM Bis-tris pH 5.9 200 mM MgCl2 18-22% PEG 3350 |