Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.910, 55.490, 77.360 |
| Unit cell angles | 90.00, 94.42, 90.00 |
Refinement procedure
| Resolution | 77.130 - 1.950 |
| R-factor | 0.22647 |
| Rwork | 0.225 |
| R-free | 0.25370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2YOU |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.194 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.000 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.090 | 0.410 |
| Number of reflections | 32357 | |
| <I/σ(I)> | 8.7 | 3.6 |
| Completeness [%] | 96.9 | 97.3 |
| Redundancy | 2.3 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
