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 | 60.410, 68.790, 94.610 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.920 - 2.810 |
R-factor | 0.2753 |
Rwork | 0.275 |
R-free | 0.28200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bev |
RMSD bond length | 0.007 |
RMSD bond angle | 0.860 |
Data reduction software | XDS (THROUGH XIA2) |
Data scaling software | Aimless (THROUGH XIA2) |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.4) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 68.790 | 2.880 |
High resolution limit [Å] | 2.810 | 2.810 |
Rmerge | 0.100 | 0.320 |
Number of reflections | 9089 | |
<I/σ(I)> | 9.8 | 1.9 |
Completeness [%] | 91.4 | 78.5 |
Redundancy | 3.9 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.05 M KH2PO4 AND 20% PEG 8000 |