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 | 2019-03-15 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 78.173, 78.180, 112.664 |
Unit cell angles | 90.00, 100.68, 90.00 |
Refinement procedure
Resolution | 49.500 - 2.298 |
Rwork | 0.205 |
R-free | 0.23890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xvc |
RMSD bond length | 0.008 |
RMSD bond angle | 1.630 |
Data reduction software | XDS (Jan 26, 2018) |
Data scaling software | XDS (Jan 26, 2018) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.500 | 2.430 |
High resolution limit [Å] | 2.298 | 2.298 |
Number of reflections | 59126 | 9359 |
<I/σ(I)> | 7.8 | 1.4 |
Completeness [%] | 98.9 | 97.8 |
Redundancy | 7 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 29% PEG 4000, 0.1 M ammonium sulphate, 0.1 M sodium citrate, pH 5.6 |