Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 120 |
Detector technology | CCD |
Collection date | 2011-01-17 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.921, 69.211, 95.440 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.030 - 2.800 |
R-factor | 0.2766 |
Rwork | 0.275 |
R-free | 0.29600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bev |
RMSD bond length | 0.007 |
RMSD bond angle | 0.850 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.4) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.030 | 2.950 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.120 | 0.300 |
Number of reflections | 10414 | |
<I/σ(I)> | 8.1 | 2.8 |
Completeness [%] | 91.2 | 89.8 |
Redundancy | 4 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5 | 0.1 MMT BUFFER PH 5.0 25% PEG 1500 |