Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-06-04 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.280, 56.040, 66.770 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.925 - 0.979 |
Rwork | 0.112 |
R-free | 0.13570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2v0u |
RMSD bond length | 0.013 |
RMSD bond angle | 2.036 |
Data reduction software | XDS |
Data scaling software | pointless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.925 | 1.040 |
High resolution limit [Å] | 0.979 | 0.980 |
Number of reflections | 76537 | 12003 |
<I/σ(I)> | 13.6 | 0.7 |
Completeness [%] | 99.7 | 7.9 |
Redundancy | 6.1 | 5.4 |
CC(1/2) | 0.999 | 0.280 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 0.1 M sodium acetate pH 4.6-5.0, 6-8% (w/v) PEG 4000, 30% (v/v) glycerol |