Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-04-06 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.95373 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 70.955, 70.955, 175.390 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.690 - 1.490 |
R-factor | 0.1987 |
Rwork | 0.198 |
R-free | 0.22170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6OKI |
RMSD bond length | 0.007 |
RMSD bond angle | 0.897 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.850 | 1.520 |
High resolution limit [Å] | 1.490 | 1.490 |
Rmerge | 0.083 | 3.900 |
Rpim | 0.019 | |
Number of reflections | 43661 | 2105 |
<I/σ(I)> | 22.4 | 1.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 35.3 | 30.3 |
CC(1/2) | 1.000 | 0.501 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 20 % w/v PEG 6000, 0.2 M MgCl2, 0.1 M HEPES, pH 7.0 |