6M2A
A non-His-rich type of chimeric sirohydrochlorin nickelochelatase CfbA from M. jannaschii and M. barkeri
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-11-13 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 1.000 |
Spacegroup name | P 31 |
Unit cell lengths | 50.210, 50.210, 90.900 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.480 - 2.230 |
R-factor | 0.1952 |
Rwork | 0.193 |
R-free | 0.23450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xws |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (1.17.1-3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.480 | 43.480 | 2.330 |
High resolution limit [Å] | 2.230 | 10.000 | 2.230 |
Rmerge | 0.174 | 0.081 | 0.879 |
Rmeas | 0.184 | 0.085 | 0.956 |
Number of reflections | 12499 | 137 | 1552 |
<I/σ(I)> | 8.56 | 26.12 | 1.73 |
Completeness [%] | 99.7 | 100 | 97.8 |
Redundancy | 9.289 | 10.774 | 6.486 |
CC(1/2) | 0.997 | 0.999 | 0.828 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 293 | 0.1M ammonium sulfate, 0.3M Na-formate, 0.1M Tris, 3% (w/v) gamma-PGA, 10% (w/v) PEG 2000 MME |