Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX IV BEAMLINE BioMAX |
Synchrotron site | MAX IV |
Beamline | BioMAX |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-04-16 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.008, 68.714, 79.801 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.070 - 1.900 |
R-factor | 0.21941 |
Rwork | 0.217 |
R-free | 0.26653 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zr0 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.318 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 79.800 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 26050 | 1644 |
<I/σ(I)> | 11.2 | |
Completeness [%] | 99.1 | |
Redundancy | 12.9 | |
CC(1/2) | 0.998 | 0.751 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 292 | 18 % PEG6000, 0.1 M sodium acetate trihydrate pH 3.5, 0.2 M lithium sulfate |