6YF4
[FeFe]-hydrogenase I from Clostridium pasteurianum (CpI), variant E279D
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 | 2019-02-11 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97911 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 89.810, 72.020, 102.930 |
Unit cell angles | 90.00, 97.48, 90.00 |
Refinement procedure
Resolution | 47.480 - 1.770 |
Rwork | 0.200 |
R-free | 0.23400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xdc |
RMSD bond length | 0.003 |
RMSD bond angle | 0.491 |
Data reduction software | XDS |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.480 | 1.820 |
High resolution limit [Å] | 1.770 | 1.770 |
Number of reflections | 126645 | 9218 |
<I/σ(I)> | 8.78 | |
Completeness [%] | 99.8 | |
Redundancy | 6.2627 | |
CC(1/2) | 0.998 | 0.518 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 0.1M Mes-NaOH (pH6), 20%PEG4000, 20% Glycerol, 0.4M MgCl2 |