Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-28 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 76.585, 178.935, 107.279 |
Unit cell angles | 90.00, 106.70, 90.00 |
Refinement procedure
Resolution | 47.490 - 2.100 |
Rwork | 0.188 |
R-free | 0.22280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1iph |
RMSD bond length | 0.011 |
RMSD bond angle | 1.073 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.490 | 2.175 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.064 | 0.485 |
Number of reflections | 156082 | 15567 |
<I/σ(I)> | 11.5 | |
Completeness [%] | 97.1 | |
Redundancy | 1.9 | |
CC(1/2) | 0.994 | 0.643 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1M sodium cacodylate, 40% MPD, PEG8000 5% |