Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-09-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | F 2 2 2 |
Unit cell lengths | 141.470, 141.500, 141.590 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.720 - 1.600 |
R-factor | 0.15764 |
Rwork | 0.155 |
R-free | 0.20491 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.595 |
Data reduction software | XDS |
Data scaling software | HKL-2000 |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.720 | 1.657 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.038 | 0.290 |
Rmeas | 0.054 | 0.410 |
Rpim | 0.038 | 0.290 |
Number of reflections | 92235 | 9291 |
<I/σ(I)> | 12.25 | 2 |
Completeness [%] | 99.9 | 99.92 |
Redundancy | 1.9 | |
CC(1/2) | 0.668 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.7 | 291 | 0.1M Acetate, pH4.7, 0.2M sodium chloride, 1.1M ammonium sulfate |