Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-07-31 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.033 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.652, 80.381, 81.178 |
Unit cell angles | 90.00, 91.72, 90.00 |
Refinement procedure
Resolution | 50.010 - 2.600 |
R-factor | 0.1832 |
Rwork | 0.180 |
R-free | 0.23820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3v2y |
RMSD bond length | 0.009 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.010 | 50.000 | 2.690 |
High resolution limit [Å] | 2.600 | 5.600 | 2.600 |
Rmerge | 0.194 | 0.070 | 1.411 |
Number of reflections | 19781 | ||
<I/σ(I)> | 5.6 | ||
Completeness [%] | 96.9 | 94.2 | 96.8 |
Redundancy | 5.4 | 5.3 | 5.1 |
CC(1/2) | 0.995 | 0.690 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 5.5 | 293 | 31% PEG400, 100mM Sodium Citrate pH5.5, 100mM magnesium sulfate |