Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-28 |
| Detector | RIGAKU SATURN 944 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 64.300, 155.000, 134.450 |
| Unit cell angles | 90.00, 92.03, 90.00 |
Refinement procedure
| Resolution | 37.233 - 1.952 |
| R-factor | 0.235 |
| Rwork | 0.233 |
| R-free | 0.27740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4arw |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.244 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0017) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.230 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.040 | 0.470 |
| Number of reflections | 81490 | |
| <I/σ(I)> | 14.7 | 2 |
| Completeness [%] | 85.5 | 69 |
| Redundancy | 2.5 | 2.3 |
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 |
