8CJB
A268M 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 | 2021-01-14 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 142.115, 142.115, 290.244 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.020 - 2.500 |
R-factor | 0.2063 |
Rwork | 0.206 |
R-free | 0.23510 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.962 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.380 | 2.470 |
High resolution limit [Å] | 2.380 | 2.380 |
Rpim | 0.084 | |
Number of reflections | 69971 | 6875 |
<I/σ(I)> | 9.5 | |
Completeness [%] | 100.0 | |
Redundancy | 19.8 | 20.66 |
CC(1/2) | 0.342 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.85 | 291.15 | 1.12 uL of the reservoir solution (0.1 M sodium acetate, 210 g/L MPD, 60 g/L PEG 4000) were mixed with 0.28 uL 19.8 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. |