Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-07-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97950 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 62.902, 83.563, 91.527 |
Unit cell angles | 90.00, 92.18, 90.00 |
Refinement procedure
Resolution | 50.230 - 2.469 |
R-factor | 0.307 |
Rwork | 0.306 |
R-free | 0.32560 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.960 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.8) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.230 | 2.530 |
High resolution limit [Å] | 2.470 | 2.470 |
Number of reflections | 34161 | 2525 |
<I/σ(I)> | 7 | |
Completeness [%] | 100.0 | |
Redundancy | 3.4 | |
CC(1/2) | 0.988 | 0.751 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 15 % PEG10K, pH 6.5 |