Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 11.2C |
Synchrotron site | ELETTRA |
Beamline | 11.2C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-03-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.810, 70.470, 101.950 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.900 - 1.200 |
Rwork | 0.160 |
R-free | 0.18930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7vs6 |
RMSD bond length | 0.018 |
RMSD bond angle | 2.026 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.970 | 1.220 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.073 | 1.270 |
Number of reflections | 2585878 | 89698 |
<I/σ(I)> | 2.5 | |
Completeness [%] | 100.0 | |
Redundancy | 26.6 | |
CC(1/2) | 1.000 | 0.850 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 295 | 1.0 M Ammonium citrate dibasic, 0.1 M Sodium acetate trihydrate pH 4.6 |