9FPG
Ni,Fe-CODH : Ti(III)-reduced pH 6.0
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-02-02 |
| Detector | DECTRIS PILATUS3 S 2M |
| Wavelength(s) | 0.91841 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 112.400, 75.460, 71.160 |
| Unit cell angles | 90.00, 111.30, 90.00 |
Refinement procedure
| Resolution | 35.320 - 1.310 |
| R-factor | 0.1456 |
| Rwork | 0.145 |
| R-free | 0.15800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.029 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.21_5207: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.880 | 1.360 |
| High resolution limit [Å] | 1.310 | 1.310 |
| Rmerge | 0.105 | |
| Rmeas | 0.113 | |
| Number of reflections | 131410 | 12934 |
| <I/σ(I)> | 10.1 | |
| Completeness [%] | 99.1 | |
| Redundancy | 6.8 | |
| CC(1/2) | 0.999 | 0.320 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291.15 | 0.1M HEPES pH 7.5, PEG 2000MME 14-18% |
