Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-10 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.8 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 158.730, 158.730, 105.670 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.930 - 1.930 |
R-factor | 0.1138 |
Rwork | 0.112 |
R-free | 0.14490 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.020 |
RMSD bond angle | 1.951 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.030 |
High resolution limit [Å] | 1.930 | 1.930 |
Rmerge | 0.137 | 0.310 |
Number of reflections | 58550 | 6822 |
<I/σ(I)> | 14.75 | 2.38 |
Completeness [%] | 99.0 | 94.49 |
Redundancy | 31.59 | 15.13 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | COUNTER-DIFFUSION | 294 | SA 1.4 M |