7ZX3
C295D Mutant of Recombinant CODH-II
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 | 2017-03-14 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.91841 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 111.870, 75.050, 71.730 |
| Unit cell angles | 90.00, 111.66, 90.00 |
Refinement procedure
| Resolution | 37.525 - 1.683 |
| R-factor | 0.1508 |
| Rwork | 0.150 |
| R-free | 0.18470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b51 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.067 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.780 | 1.740 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.062 | |
| Rmeas | 0.072 | |
| Number of reflections | 61984 | 6106 |
| <I/σ(I)> | 12.7 | |
| Completeness [%] | 99.2 | 98.26 |
| Redundancy | 4.1 | 4.09 |
| CC(1/2) | 0.999 | 0.769 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291.15 | 0.1M Bis-Tris pH 6.5, PEG 3350 10-18%, Ammonium sulphate 0.18M |
