Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2016-08-15 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.320, 37.170, 64.000 |
Unit cell angles | 90.00, 100.34, 90.00 |
Refinement procedure
Resolution | 42.870 - 1.760 |
R-factor | 0.16241 |
Rwork | 0.161 |
R-free | 0.19249 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.031 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.870 | 1.820 |
High resolution limit [Å] | 1.760 | 1.760 |
Rmerge | 0.070 | 0.420 |
Number of reflections | 22481 | |
<I/σ(I)> | 13.3 | 3 |
Completeness [%] | 96.0 | 91.4 |
Redundancy | 3.68 | 3.57 |
CC(1/2) | 0.998 | 0.852 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 298 | 0.1M CHES PH9.5, 10% (W/V) PEG 3000 |