Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-07-17 |
Detector | DECTRIS PILATUS |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.150, 83.660, 58.680 |
Unit cell angles | 90.00, 95.18, 90.00 |
Refinement procedure
Resolution | 17.766 - 2.640 |
R-factor | 0.2276 |
Rwork | 0.226 |
R-free | 0.25780 |
Structure solution method | SAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.003 |
RMSD bond angle | 0.725 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((PHENIX.REFINE: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 17.770 | 2.710 |
High resolution limit [Å] | 2.640 | 2.640 |
Rmerge | 0.100 | 0.680 |
Number of reflections | 13630 | |
<I/σ(I)> | 16.1 | 2.4 |
Completeness [%] | 99.4 | 99.2 |
Redundancy | 6.7 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.4 | 20% PEG3350, 0.1M TRIS PH 8.4, 0.2M MAGNESIUM CHLORIDE |