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 |