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 | 2014-06-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 114.357, 118.176, 494.668 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 16.000 - 3.500 |
| R-factor | 0.2223 |
| Rwork | 0.220 |
| R-free | 0.26860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6KPU |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.883 |
| 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 | 3.610 |
| High resolution limit [Å] | 3.500 | 3.500 |
| Rmerge | 0.102 | 0.177 |
| Number of reflections | 49973 | 570 |
| <I/σ(I)> | 10.2 | |
| Completeness [%] | 58.3 | |
| Redundancy | 16.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 288 | 16% PEG2000 MME, 10% GLYCEROL, 200 mM MAGNESIUM CHLORIDE, 5 mM GSH, 0.1 mMDTT, 0.0001% BHT, 100 mM MES-NMDG, PH 6.2 |
