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 |
