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 | 2018-11-30 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 1.00 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.615, 99.386, 110.158 |
Unit cell angles | 90.00, 99.42, 90.00 |
Refinement procedure
Resolution | 46.000 - 2.650 |
R-factor | 0.22596 |
Rwork | 0.223 |
R-free | 0.27442 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5GYM |
RMSD bond length | 0.003 |
RMSD bond angle | 1.132 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.000 | 2.720 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.134 | 0.716 |
Number of reflections | 27286 | 1438 |
<I/σ(I)> | 10.7 | |
Completeness [%] | 99.7 | 95.8 |
Redundancy | 6.7 | |
CC(1/2) | 0.706 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | 20% (w/v) Polyethylene glycol 3350, 0.2M Mg(OAc)2 |