Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-05 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 |
Unit cell lengths | 55.198, 56.820, 71.568 |
Unit cell angles | 102.90, 96.55, 111.97 |
Refinement procedure
Resolution | 35.880 - 1.760 |
R-factor | 0.1767 |
Rwork | 0.175 |
R-free | 0.20410 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.638 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.880 | 1.830 |
High resolution limit [Å] | 1.760 | 1.760 |
Number of reflections | 72083 | 6009 |
<I/σ(I)> | 9.35 | 0.98 |
Completeness [%] | 84.3 | |
Redundancy | 2 | |
CC(1/2) | 0.998 | 0.530 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M Ca(OAc)2, 0.1 M NaCacodylate pH 6.5, 18% PEG8000 |