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 | 2019-10-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.898442 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.870, 43.237, 79.352 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.680 - 1.230 |
| Rwork | 0.203 |
| R-free | 0.23650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5lrq |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.968 |
| 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 | 1.250 |
| High resolution limit [Å] | 1.230 | 6.740 | 1.230 |
| Rmerge | 0.098 | 0.025 | 3.460 |
| Rmeas | 0.106 | 0.027 | 3.751 |
| Rpim | 0.040 | 0.010 | 1.438 |
| Number of reflections | 38688 | 297 | 1890 |
| <I/σ(I)> | 12.2 | ||
| Completeness [%] | 100.0 | ||
| Redundancy | 12.8 | 11 | 12.9 |
| CC(1/2) | 1.000 | 1.000 | 0.339 |
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 |
