Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-07 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.010, 69.720, 115.190 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.340 - 1.410 |
R-factor | 0.191 |
Rwork | 0.190 |
R-free | 0.21700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.080 |
Data reduction software | autoPROC |
Data scaling software | XSCALE |
Phasing software | BUSTER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.300 | 1.460 |
High resolution limit [Å] | 1.410 | 1.410 |
Number of reflections | 95503 | 1851 |
<I/σ(I)> | 11.7 | |
Completeness [%] | 98.9 | |
Redundancy | 5.6 | |
CC(1/2) | 1.000 | 0.440 |
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 |