Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-03-05 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.376, 88.466, 118.492 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.440 - 2.400 |
R-factor | 0.2016 |
Rwork | 0.199 |
R-free | 0.25310 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.694 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.440 | 2.486 |
High resolution limit [Å] | 2.400 | 2.400 |
Number of reflections | 30849 | 3014 |
<I/σ(I)> | 11.19 | 1.15 |
Completeness [%] | 99.6 | |
Redundancy | 6.5 | |
CC(1/2) | 0.996 | 0.488 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M NaCitrate, 20% PEG3350 |