6BXM
Crystal structure of Candidatus Methanoperedens nitroreducens Dph2 with 4Fe-4S cluster and SAM/cleaved SAM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-01 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.887, 64.080, 158.368 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.812 - 2.252 |
| R-factor | 0.1775 |
| Rwork | 0.175 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lzc |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.929 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.330 |
| High resolution limit [Å] | 2.250 | 4.850 | 2.250 |
| Rmerge | 0.097 | 0.037 | 0.579 |
| Rmeas | 0.110 | 0.042 | 0.662 |
| Rpim | 0.050 | 0.019 | 0.315 |
| Total number of observations | 138805 | ||
| Number of reflections | 30482 | 3250 | 3016 |
| <I/σ(I)> | 6.1 | ||
| Completeness [%] | 99.6 | 99 | 99.5 |
| Redundancy | 4.6 | 4.4 | 4.3 |
| CC(1/2) | 0.999 | 0.797 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 65 mM HEPES, pH 6.5-7.0, and 18-25% (w/v) polyethylene glycol (PEG) 1000 |
