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 | 2020-07-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 71.220, 154.330, 28.820 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.443 - 1.500 |
Rwork | 0.152 |
R-free | 0.18600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6zbp |
RMSD bond length | 0.008 |
RMSD bond angle | 1.443 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.443 | 1.540 |
High resolution limit [Å] | 1.500 | 1.500 |
Rpim | 0.013 | 0.150 |
Number of reflections | 51783 | 3353 |
<I/σ(I)> | 28.1 | 6 |
Completeness [%] | 99.4 | 93.7 |
Redundancy | 11.8 | |
CC(1/2) | 1.000 | 0.960 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 0.2 M Sodium Acetate, 0.1 M Sodium Cacodylate pH 6.5, 30 % w/v PEG 8000 |