Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-11-11 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.000029 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 89.838, 144.501, 168.432 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.657 - 2.700 |
Rwork | 0.353 |
R-free | 0.37080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ixo |
RMSD bond length | 0.005 |
RMSD bond angle | 1.366 |
Data reduction software | xia2 |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.170 | 2.770 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.316 | 1.965 |
Rmeas | 0.350 | 2.164 |
Rpim | 0.149 | 0.900 |
Number of reflections | 60957 | 4464 |
<I/σ(I)> | 5.7 | |
Completeness [%] | 99.9 | |
Redundancy | 10.3 | 10.9 |
CC(1/2) | 0.997 | 0.821 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | 0.2 M magnesium chloride 0.1 M HEPES pH 7.5 25 % w/v PEG 3350 |