Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-03-13 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.7999 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.610, 54.550, 66.460 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.165 - 0.900 |
Rwork | 0.115 |
R-free | 0.13930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2v0u |
RMSD bond length | 0.012 |
RMSD bond angle | 1.987 |
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] | 42.170 | 0.950 |
High resolution limit [Å] | 0.900 | 0.900 |
Number of reflections | 95419 | 15086 |
<I/σ(I)> | 13.8 | 0.99 |
Completeness [%] | 99.0 | 97.6 |
Redundancy | 7.2 | 6.9 |
CC(1/2) | 1.000 | 0.371 |
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 |