Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-04 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97624 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 81.870, 81.870, 355.870 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 59.382 - 3.100 |
Rwork | 0.249 |
R-free | 0.28180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4gzl |
RMSD bond length | 0.002 |
RMSD bond angle | 1.087 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.382 | 3.210 |
High resolution limit [Å] | 3.100 | 3.100 |
Number of reflections | 13493 | 2398 |
<I/σ(I)> | 18.7 | |
Completeness [%] | 97.9 | |
Redundancy | 10.6 | |
CC(1/2) | 0.990 | 0.917 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 279 | 8% v/v PEG4,000 0.1M Tris pH 8.5 0.2M Sodium acetate |