Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-11-28 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.861, 72.329, 73.528 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.110 - 2.840 |
R-factor | 0.2378 |
Rwork | 0.236 |
R-free | 0.27260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bev |
RMSD bond length | 0.007 |
RMSD bond angle | 0.830 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 73.780 | 2.990 |
High resolution limit [Å] | 2.840 | 2.840 |
Rmerge | 0.160 | 0.410 |
Number of reflections | 9390 | |
<I/σ(I)> | 11 | 2 |
Completeness [%] | 96.5 | 87.7 |
Redundancy | 5.8 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 0.2M MAGNESIUM CHLORIDE HEXAHYDRATE, 0.1M TRIS, PH 8.0, 20% PEG 6000 |