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 | 2011-05-22 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 175.110, 175.110, 49.550 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.550 - 2.850 |
R-factor | 0.203 |
Rwork | 0.201 |
R-free | 0.24800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ayw |
RMSD bond length | 0.009 |
RMSD bond angle | 1.050 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.000 | 3.000 |
High resolution limit [Å] | 2.850 | 2.850 |
Rmerge | 0.160 | 0.820 |
Number of reflections | 20523 | |
<I/σ(I)> | 7.7 | 2 |
Completeness [%] | 99.8 | 100 |
Redundancy | 4.5 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 9.5 | 0.1 M SODIUM CHLORIDE, 0.1 M GLYCINE PH 9.5, 37% (V/V) PEG 300. |