Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.2 |
| Synchrotron site | SRS |
| Beamline | PX14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 50.772, 63.605, 74.988 |
| Unit cell angles | 81.98, 76.26, 77.85 |
Refinement procedure
| Resolution | 72.550 - 1.600 |
| R-factor | 0.2 |
| Rwork | 0.199 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hhi |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.386 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.040 | 0.400 |
| Number of reflections | 101204 | |
| <I/σ(I)> | 21.8 | 1.76 |
| Completeness [%] | 86.5 | 41.1 |
| Redundancy | 1.9 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | pH 6.5 |
