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 | 2019-07-28 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.976230 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.868, 43.397, 80.407 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.190 - 1.290 |
| Rwork | 0.190 |
| R-free | 0.20410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5lrq |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.233 |
| 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] | 38.190 | 38.190 | 1.310 |
| High resolution limit [Å] | 1.290 | 7.070 | 1.290 |
| Rmerge | 0.097 | 0.111 | 2.160 |
| Rmeas | 0.112 | 0.130 | 2.626 |
| Rpim | 0.056 | 0.066 | 1.466 |
| Number of reflections | 33926 | 263 | 1592 |
| <I/σ(I)> | 8.5 | ||
| Completeness [%] | 99.3 | ||
| Redundancy | 7.1 | 5.9 | 5.5 |
| CC(1/2) | 0.988 | 0.856 | 0.305 |
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 |
