Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-07-12 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.070, 69.800, 114.880 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.960 - 2.000 |
R-factor | 0.216 |
Rwork | 0.214 |
R-free | 0.25000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.080 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | BUSTER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 34070 | 2369 |
<I/σ(I)> | 11.7 | |
Completeness [%] | 99.0 | |
Redundancy | 6.4 | |
CC(1/2) | 1.000 | 0.907 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 32% PEG3350, 0.2 M NaAc, and 0.1 M Hepes pH 6.8-7.5 |