Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-03-11 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 |
| Unit cell lengths | 40.590, 84.060, 85.960 |
| Unit cell angles | 109.41, 101.40, 101.37 |
Refinement procedure
| Resolution | 40.952 - 2.170 |
| R-factor | 0.2179 |
| Rwork | 0.217 |
| R-free | 0.24290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5a40 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.421 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.000 | 2.500 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.088 | 0.800 |
| Number of reflections | 51576 | |
| <I/σ(I)> | 7.6 | 1.3 |
| Completeness [%] | 96.8 | 96.3 |
| Redundancy | 3.4 | 3.4 |
| CC(1/2) | 0.994 | 0.430 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 5.5 | 293 | 2-26% (V/V) POLYETHYLENE GLYCOL 500 DME, 0.1 M NA-CITRATE PH 5.5, 10 MM NAF |
