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 | 35.500, 56.420, 66.660 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.065 - 1.001 |
Rwork | 0.114 |
R-free | 0.14720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2v0u |
RMSD bond length | 0.013 |
RMSD bond angle | 1.800 |
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] | 43.070 | 1.060 |
High resolution limit [Å] | 1.000 | 1.000 |
Number of reflections | 67933 | 10104 |
<I/σ(I)> | 13.5 | |
Completeness [%] | 93.1 | |
Redundancy | 7.5 | |
CC(1/2) | 0.999 | 0.510 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 295 | 0.1 M sodium acetate pH 4.6-5.0, 6-8% (w/v) PEG 4000, 30% (v/v) glycerol |