Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.200, 69.100, 62.400 |
| Unit cell angles | 90.00, 100.30, 90.00 |
Refinement procedure
| Resolution | 36.200 - 2.190 |
| R-factor | 0.197 |
| Rwork | 0.194 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hx3 |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.092 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.400 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.060 | 0.160 |
| Number of reflections | 18119 | |
| <I/σ(I)> | 17.5 | 9 |
| Completeness [%] | 97.8 | 95.6 |
| Redundancy | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | pH 5.5 |
