Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-08-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.953970 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.808, 43.417, 79.360 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.680 - 1.080 |
| Rwork | 0.206 |
| R-free | 0.23640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5lrq |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.078 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.680 | 39.680 | 1.100 |
| High resolution limit [Å] | 1.080 | 5.920 | 1.080 |
| Rmerge | 0.073 | 0.050 | 1.413 |
| Rmeas | 0.086 | 0.059 | 1.821 |
| Rpim | 0.045 | 0.032 | 1.136 |
| Number of reflections | 54177 | 428 | 1716 |
| <I/σ(I)> | 8 | ||
| Completeness [%] | 95.5 | ||
| Redundancy | 6.1 | 5.6 | 3.1 |
| CC(1/2) | 0.998 | 0.994 | 0.327 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1 M Buffer system 3 (1 M Tris, 1 M BICINE, pH 8.5), 34-44% Precipitant Solution 3 (20% PEG 4000, 40%) and 60-80 mM Halogens Mix (NaF, NaBr and NaI) solution |
