6SZK
Hydrogenase-2 variant R479K - hydrogen reduced form treated with CO
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-03-13 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9282 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 100.667, 101.210, 170.826 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 86.700 - 1.200 |
Rwork | 0.121 |
R-free | 0.14140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6en9 |
RMSD bond length | 0.019 |
RMSD bond angle | 2.126 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 87.700 | 1.220 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.100 | 1.400 |
Rmeas | 0.120 | 1.600 |
Rpim | 0.059 | 0.830 |
Number of reflections | 539529 | 25905 |
<I/σ(I)> | 8.3 | 1.2 |
Completeness [%] | 99.8 | 97.3 |
Redundancy | 7.2 | 7 |
CC(1/2) | 0.998 | 0.657 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 296 | 100 mM Bis-tris pH 6.5, 200 mM MgCl2, 18-21% PEG 3350 |