Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-04-28 |
| Detector | DECTRIS PILATUS 2M |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 64.090, 154.110, 134.670 |
| Unit cell angles | 90.00, 92.49, 90.00 |
Refinement procedure
| Resolution | 45.320 - 2.000 |
| R-factor | 0.2017 |
| Rwork | 0.199 |
| R-free | 0.24514 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4arw |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.206 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.300 | 2.010 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.050 | 0.680 |
| Number of reflections | 88442 | |
| <I/σ(I)> | 18.5 | 2.7 |
| Completeness [%] | 94.4 | 91.6 |
| Redundancy | 7.2 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 4% PEG6000, 0.1M MES PH6, 0.05M MGCL2, 0.1M NABR, 1% B-ME |
