Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-04 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 500.893, 500.893, 287.055 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.258 - 3.189 |
R-factor | 0.2309 |
Rwork | 0.231 |
R-free | 0.23420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ms2 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | FFT |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.258 | 49.258 | 3.380 |
High resolution limit [Å] | 3.189 | 9.410 | 3.190 |
Rmerge | 0.796 | 0.109 | 3.730 |
Rmeas | 0.838 | 0.116 | 3.925 |
Number of reflections | 680195 | 26998 | 108177 |
<I/σ(I)> | 3.68 | 18.07 | 0.61 |
Completeness [%] | 99.8 | 99 | 98.8 |
Redundancy | 10.224 | 9.341 | 10.201 |
CC(1/2) | 0.958 | 0.997 | 0.234 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 12.5% PEG 1000, 7% PEG 8000 |