Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-1A |
Synchrotron site | Photon Factory |
Beamline | BL-1A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-05-05 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 177.380, 47.760, 81.780 |
Unit cell angles | 90.00, 97.93, 90.00 |
Refinement procedure
Resolution | 46.090 - 2.200 |
R-factor | 0.2429 |
Rwork | 0.242 |
R-free | 0.26710 |
Structure solution method | SAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.602 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (v1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.090 | 2.279 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.064 | 1.265 |
Rmeas | 0.071 | 0.071 |
Rpim | 0.030 | 0.577 |
Number of reflections | 34504 | 3381 |
<I/σ(I)> | 15.03 | 1.33 |
Completeness [%] | 98.7 | 97.77 |
Redundancy | 5.2 | 5.5 |
CC(1/2) | 0.999 | 0.819 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 290 | 0.2 M Ammonium Sulfate 0.1 M MES:NaOH pH 6.5 30% (w/v) PEG 5000 MME |