Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-09-21 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.95372 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 86.380, 57.160, 110.580 |
| Unit cell angles | 90.00, 94.49, 90.00 |
Refinement procedure
| Resolution | 44.860 - 1.970 |
| R-factor | 0.203 |
| Rwork | 0.201 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ir1 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.072 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.120 | 2.080 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.063 | 0.644 |
| Number of reflections | 76471 | 11032 |
| <I/σ(I)> | 12.9 | 2.7 |
| Completeness [%] | 99.7 | 99.6 |
| Redundancy | 4.8 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 298 | 15% MPD , pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
