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 | 2020-07-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 31 |
Unit cell lengths | 108.420, 108.420, 165.538 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 93.895 - 2.340 |
Rwork | 0.192 |
R-free | 0.22750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6zbp |
RMSD bond length | 0.009 |
RMSD bond angle | 1.611 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 94.000 | 2.400 |
High resolution limit [Å] | 2.340 | 2.340 |
Rpim | 0.051 | 0.700 |
Number of reflections | 91842 | 4643 |
<I/σ(I)> | 9.9 | 0.8 |
Completeness [%] | 100.0 | 99.6 |
Redundancy | 10.1 | 7 |
CC(1/2) | 1.000 | 0.500 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M SPG, pH 8, 25 % Peg 1500, |