Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-15 |
Detector | ADSC CCD |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 133.221, 133.221, 44.637 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.868 - 2.050 |
R-factor | 0.1546 |
Rwork | 0.153 |
R-free | 0.18550 |
Structure solution method | SIRAS |
Starting model (for MR) | NONE |
RMSD bond length | 0.007 |
RMSD bond angle | 0.994 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | SHARP |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.870 | 2.160 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.090 | 0.820 |
Number of reflections | 28746 | |
<I/σ(I)> | 11.5 | 2.3 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.4 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 50MM SODIUM MALATE, 20% PEG3350, 3% DEXTRAN SULFATE, 20MM NISO4 |