Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-04 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97265 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 184.017, 184.017, 87.285 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 92.008 - 3.090 |
Rwork | 0.183 |
R-free | 0.22590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dlh |
RMSD bond length | 0.008 |
RMSD bond angle | 1.681 |
Data reduction software | xia2 |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 92.020 | 3.170 |
High resolution limit [Å] | 3.086 | 3.086 |
Rmerge | 0.191 | 3.078 |
Rmeas | 0.201 | 3.231 |
Rpim | 0.060 | 0.979 |
Number of reflections | 31506 | 2293 |
<I/σ(I)> | 10.3 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 11 | 10.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6 | 291 | Seeded with DR1-QAR crystals. 0.2M LiCl, 20% PEG 6K, 0.1M MES |