Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-07-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 115.721, 117.646, 492.068 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 14.990 - 3.200 |
| R-factor | 0.2424 |
| Rwork | 0.241 |
| R-free | 0.28090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6KPU |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.893 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.635 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.088 | 0.731 |
| Rmeas | 0.100 | 0.857 |
| Rpim | 0.045 | 0.437 |
| Number of reflections | 51448 | 2572 |
| <I/σ(I)> | 6.8 | 1.5 |
| Completeness [%] | 46.0 | 7.3 |
| Redundancy | 4.4 | 3.5 |
| CC(1/2) | 0.998 | 0.279 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 288 | 16% PEG 2000 MME, 10% GLYCEROL, 200mM MAGNESIUM CHLORIDE, 5mM GSH, 0.1mM DTT, 0.0001% BHT, 100mM MES-NMDG, PH 6.2 |
