Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-07-03 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | I 2 3 |
Unit cell lengths | 206.689, 206.689, 206.689 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.720 - 2.880 |
R-factor | 0.18711 |
Rwork | 0.185 |
R-free | 0.22415 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2br7 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.512 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 146.150 | 3.040 |
High resolution limit [Å] | 2.880 | 2.880 |
Rmerge | 0.140 | 0.860 |
Number of reflections | 33178 | |
<I/σ(I)> | 10 | 1.7 |
Completeness [%] | 95.7 | 88.7 |
Redundancy | 5 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 0.6-1.2 M AMMONIUM SULPHATE, 0.1 M MMT PH 6.5-8.5 |