8CJA
A225L/F231A variant of the CODH/ACS complex of C. hydrogenoformans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-06-09 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 142.219, 142.219, 290.773 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.550 - 2.100 |
R-factor | 0.1783 |
Rwork | 0.178 |
R-free | 0.20920 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.075 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.460 | 1.980 |
High resolution limit [Å] | 1.910 | 1.910 |
Rpim | 0.071 | |
Number of reflections | 134637 | 13158 |
<I/σ(I)> | 9.4 | |
Completeness [%] | 99.9 | 99.06 |
Redundancy | 19.8 | 19.15 |
CC(1/2) | 0.998 | 0.205 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 291.15 | 1.12 uL of the reservoir solution (0.1 M sodium acetate, 250 g/L MPD, 40 g/L PEG 4000) were mixed with 0.28 uL 23.7 g/L CODH/ACS in 50 mM Mops pH 7.6, 150 mM NaCl, 1.6 mM Ti(III)-EDTA to form the sitting drop. Crystallization was performed in an anoxic glove box. |