Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-01-30 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 41 3 2 |
Unit cell lengths | 143.092, 143.092, 143.092 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.591 - 2.160 |
R-factor | 0.2069 |
Rwork | 0.206 |
R-free | 0.22570 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.592 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 71.550 | 2.280 |
High resolution limit [Å] | 2.160 | 2.160 |
Rmerge | 0.220 | 1.500 |
Number of reflections | 26072 | |
<I/σ(I)> | 12 | 1.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 18.4 | 14.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.4M K/NA(TART) |