Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 173 |
| Detector technology | PIXEL |
| Collection date | 2015-02-07 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.000, 91.780, 53.520 |
| Unit cell angles | 90.00, 112.11, 90.00 |
Refinement procedure
| Resolution | 45.890 - 1.900 |
| R-factor | 0.18855 |
| Rwork | 0.186 |
| R-free | 0.23038 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5MWR |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.021 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.890 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmeas | 0.065 | 0.727 |
| Number of reflections | 30909 | 1592 |
| <I/σ(I)> | 10.03 | |
| Completeness [%] | 94.4 | 66 |
| Redundancy | 3.2 | 2.3 |
| CC(1/2) | 0.997 | 0.567 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1 M Bis Tris propane pH 8.5, 0.2M Sodium nitrate, 20% w/v PEG 3350 |
