Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-10 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.308, 87.130, 62.322 |
| Unit cell angles | 90.00, 90.55, 90.00 |
Refinement procedure
| Resolution | 62.320 - 1.880 |
| R-factor | 0.17416 |
| Rwork | 0.171 |
| R-free | 0.23140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4a6p |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.792 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.560 | 1.990 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.100 | 0.500 |
| Number of reflections | 34773 | |
| <I/σ(I)> | 10.44 | 2.61 |
| Completeness [%] | 99.1 | 96.6 |
| Redundancy | 3.51 | 3.47 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.8 | 60 MM NAPHOSPHATE PH 5.8, 15% PEG1000 |
