6BXO
Crystal structure of Candidatus Methanoperedens nitroreducens Dph2 with 4Fe-4S cluster and SAH
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 | 31.442, 128.031, 141.925 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.533 - 1.655 |
R-factor | 0.1826 |
Rwork | 0.181 |
R-free | 0.21670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lzc |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.710 |
High resolution limit [Å] | 1.650 | 3.550 | 1.650 |
Rmerge | 0.053 | 0.035 | 0.557 |
Rmeas | 0.063 | 0.042 | 0.665 |
Rpim | 0.034 | 0.023 | 0.356 |
Total number of observations | 210888 | ||
Number of reflections | 67396 | 7055 | 6516 |
<I/σ(I)> | 12.4 | ||
Completeness [%] | 97.1 | 95.4 | 96.5 |
Redundancy | 3.1 | 3.1 | 3.1 |
CC(1/2) | 0.997 | 0.755 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 298 | 65 mM HEPES, pH 6.5-7.0, and 18-25% (w/v) polyethylene glycol (PEG) 1000 |