Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.96860 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.280, 69.710, 114.530 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.040 - 1.900 |
R-factor | 0.255 |
Rwork | 0.254 |
R-free | 0.28300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 0.970 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | BUSTER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.300 | 1.670 |
High resolution limit [Å] | 1.630 | 1.630 |
Number of reflections | 40039 | 818 |
<I/σ(I)> | 4.7 | |
Completeness [%] | 100.0 | |
Redundancy | 6.1 | |
CC(1/2) | 0.990 | 0.890 |
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 |