Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-03-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.99989 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 91.018, 91.018, 121.995 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 78.820 - 2.080 |
R-factor | 0.19238 |
Rwork | 0.191 |
R-free | 0.22795 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.739 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 78.820 | 2.330 |
High resolution limit [Å] | 2.080 | 2.080 |
Rmerge | 0.089 | 0.498 |
Rmeas | 0.099 | 0.554 |
Number of reflections | 33919 | 8974 |
<I/σ(I)> | 13.63 | 3.84 |
Completeness [%] | 95.1 | 88.4 |
Redundancy | 5.2 | 5.2 |
CC(1/2) | 0.998 | 0.937 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 0.10 M NaAcetat_pH4.8, 2.30 M (NH4)2SO4, 30 % Glycerol, 18% (w/v) PEG 4000, 0.1M Na3Citrate pH=5.75 |