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 | 2016-03-08 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97626 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 90.060, 116.080, 43.680 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 71.156 - 1.640 |
Rwork | 0.202 |
R-free | 0.23990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dlh |
RMSD bond length | 0.011 |
RMSD bond angle | 1.687 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 71.160 | 1.680 |
High resolution limit [Å] | 1.640 | 1.640 |
Rmerge | 0.094 | 1.912 |
Rpim | 0.753 | |
Number of reflections | 56957 | 4141 |
<I/σ(I)> | 10.3 | |
Completeness [%] | 99.8 | |
Redundancy | 7.1 | |
CC(1/2) | 0.518 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6 | 291 | 0.1 M Na Cacodylate, 0.2 M NH4 SO4, 20% PEG 8000 |