Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-01-13 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 81.120, 125.610, 153.960 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.770 - 2.250 |
| R-factor | 0.221 |
| Rwork | 0.220 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1br2 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.160 |
| Data reduction software | XDS |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 97.330 | 2.350 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.120 | 0.230 |
| Number of reflections | 75357 | |
| <I/σ(I)> | 13.6 | 2.63 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 14.82 | 14.97 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 281.15 | TRIS PH 8.2, PEG 5K MME, MPD, NACL. |
