Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-03-03 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 31 |
Unit cell lengths | 126.270, 126.270, 94.850 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 63.130 - 2.600 |
R-factor | 0.2124 |
Rwork | 0.207 |
R-free | 0.25810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | fixed/fixed.pdb |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (dev_3724) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 63.130 | 63.130 | 2.670 |
High resolution limit [Å] | 2.600 | 11.620 | 2.600 |
Rmerge | 0.129 | 0.034 | 1.277 |
Rmeas | 0.143 | 0.038 | 1.416 |
Total number of observations | 274668 | ||
Number of reflections | 51879 | 583 | 3776 |
<I/σ(I)> | 11.31 | 35.99 | 1.5 |
Completeness [%] | 99.6 | 99.8 | 98.2 |
Redundancy | 5.294 | 5.36 | 5.279 |
CC(1/2) | 0.996 | 0.999 | 0.539 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 298 | 1M Lithium chloride, 0.1 Citric acid pH 4.0, 20% (w/v) PEG 6000 |