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 | 2013-12-08 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.580, 148.780, 92.150 |
Unit cell angles | 90.00, 94.22, 90.00 |
Refinement procedure
Resolution | 57.821 - 3.150 |
R-factor | 0.2172 |
Rwork | 0.215 |
R-free | 0.27110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ENTRIES 2I53 AND 4BCG |
RMSD bond length | 0.002 |
RMSD bond angle | 0.579 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.820 | 3.370 |
High resolution limit [Å] | 3.150 | 3.150 |
Rmerge | 0.190 | 0.870 |
Number of reflections | 22936 | |
<I/σ(I)> | 8.7 | 2 |
Completeness [%] | 99.4 | 99.3 |
Redundancy | 4.3 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 20% PEG3350, 10% ETGLY, 0.1M BISTRIS PROPANE PH6.5, 0.2M SODIUM NITRATE |