Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-12-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 125.342, 125.342, 58.084 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 54.275 - 2.559 |
Rwork | 0.224 |
R-free | 0.28730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4x7j |
RMSD bond length | 0.003 |
RMSD bond angle | 1.249 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.275 | 2.630 |
High resolution limit [Å] | 2.559 | 2.559 |
Rmerge | 0.072 | 1.180 |
Number of reflections | 17214 | 1254 |
<I/σ(I)> | 15 | |
Completeness [%] | 100.0 | |
Redundancy | 9.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 4% tacsimate pH 7.0 and 12% PEG 3350 |