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 | 2016-06-12 |
Detector | DECTRIS EIGER R 4M |
Wavelength(s) | 2.7 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 104.240, 156.830, 179.540 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.460 - 2.950 |
R-factor | 0.1719 |
Rwork | 0.170 |
R-free | 0.20820 |
Structure solution method | SAD |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELXCD |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.030 |
High resolution limit [Å] | 2.950 | 2.950 |
Number of reflections | 11135360 | 625357 |
<I/σ(I)> | 52.23 | 3.29 |
Completeness [%] | 99.9 | 99.5 |
Redundancy | 177.76 | 137.02 |
CC(1/2) | 1.000 | 0.823 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.7 | 293 | 6% PEG, 16% glycerol, 30 mM magnesium chloride, 30 mM calcium chloride, 0.1M MES/0.1M imidazole |