Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-03 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.115869 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.718, 120.417, 126.440 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 14.965 - 3.100 |
R-factor | 0.2622 |
Rwork | 0.260 |
R-free | 0.30220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4rue |
RMSD bond length | 0.003 |
RMSD bond angle | 0.539 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 3.210 |
High resolution limit [Å] | 3.100 | 3.100 |
Rmerge | 0.065 | 0.104 |
Number of reflections | 18913 | 2574 |
<I/σ(I)> | 0.3 | 0.3 |
Completeness [%] | 97.0 | |
Redundancy | 6 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 22-25% PEG400, 100mM HEPES pH=8.0, 1mM CdCl2, 200mM KCl |