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 | 35.610, 56.010, 66.520 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.845 - 1.090 |
Rwork | 0.123 |
R-free | 0.16120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2v0u |
RMSD bond length | 0.012 |
RMSD bond angle | 1.821 |
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] | 42.845 | 1.160 |
High resolution limit [Å] | 1.090 | 1.090 |
Number of reflections | 55866 | 8789 |
<I/σ(I)> | 12 | |
Completeness [%] | 99.2 | 98 |
Redundancy | 7 | 6.2 |
CC(1/2) | 0.999 | 0.450 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 298 | 0.1 M sodium acetate pH 4.6-5.0, 6-8% (w/v) PEG 4000, 30% (v/v) glycerol |