6BXN
Crystal structure of Candidatus Methanoperedens nitroreducens Dph2 with 4Fe-4S cluster and 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 | 31.476, 127.190, 142.462 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.488 - 2.079 |
| R-factor | 0.2084 |
| Rwork | 0.206 |
| R-free | 0.25990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lzc |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.926 |
| 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 | 2.150 |
| High resolution limit [Å] | 2.080 | 4.480 | 2.080 |
| Rmerge | 0.093 | 0.048 | 0.579 |
| Rmeas | 0.105 | 0.054 | 0.654 |
| Rpim | 0.047 | 0.024 | 0.298 |
| Total number of observations | 159054 | ||
| Number of reflections | 35318 | 3723 | 3416 |
| <I/σ(I)> | 6.3 | ||
| Completeness [%] | 99.0 | 97 | 98.7 |
| Redundancy | 4.5 | 4.4 | 4.4 |
| CC(1/2) | 0.998 | 0.842 |
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 |
