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 | 2020-03-24 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.9998 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 34.490, 57.740, 61.530 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.702 - 1.200 |
Rwork | 0.162 |
R-free | 0.18630 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.262 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.765 | 1.220 |
High resolution limit [Å] | 1.150 | 1.150 |
Rmeas | 0.073 | 1.010 |
Number of reflections | 83428 | 13324 |
<I/σ(I)> | 7.26 | 0.7 |
Completeness [%] | 98.9 | |
Redundancy | 3.15 | 2.55 |
CC(1/2) | 0.998 | 0.457 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 2.4 M Sodium malonate pH 7.0 (Index/C3) |