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 1 21 1 |
Unit cell lengths | 67.420, 76.730, 90.130 |
Unit cell angles | 90.00, 93.50, 90.00 |
Refinement procedure
Resolution | 55.537 - 2.660 |
Rwork | 0.200 |
R-free | 0.25390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dlh |
RMSD bond length | 0.010 |
RMSD bond angle | 1.684 |
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] | 55.540 | 2.730 |
High resolution limit [Å] | 2.660 | 2.660 |
Rmerge | 0.196 | 1.043 |
Rmeas | 0.229 | 1.215 |
Rpim | 0.116 | 0.616 |
Number of reflections | 26304 | 1929 |
<I/σ(I)> | 6.3 | 1.5 |
Completeness [%] | 99.1 | 98.7 |
Redundancy | 3.7 | |
CC(1/2) | 0.466 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 291 | 0.1 M Tris 0.2 M NH4 SO4 25% PEG 4000 |