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 | 2019-08-21 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.490, 56.900, 61.070 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.603 - 1.200 |
Rwork | 0.161 |
R-free | 0.17710 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 1.220 |
Data reduction software | autoPROC |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.630 | 1.060 |
High resolution limit [Å] | 1.000 | 1.000 |
Rmeas | 0.057 | 1.114 |
Number of reflections | 68875 | 10629 |
<I/σ(I)> | 14.49 | 1.25 |
Completeness [%] | 99.3 | 96.1 |
Redundancy | 5.95 | |
CC(1/2) | 0.999 | 0.532 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 2.1 M DL-Malic acid pH 7.0 |