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 | 2018-05-16 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 1 |
Unit cell lengths | 54.930, 59.171, 86.020 |
Unit cell angles | 101.94, 105.87, 104.69 |
Refinement procedure
Resolution | 79.010 - 2.270 |
Rwork | 0.192 |
R-free | 0.25160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7pdw |
RMSD bond length | 0.009 |
RMSD bond angle | 1.560 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.7.2) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 79.011 | 79.010 | 2.340 |
High resolution limit [Å] | 2.270 | 9.080 | 2.270 |
Rmerge | 0.117 | 0.072 | 0.210 |
Rmeas | 0.166 | 0.101 | 0.297 |
Rpim | 0.117 | 0.072 | 0.210 |
Number of reflections | 38348 | 657 | 3471 |
<I/σ(I)> | 4.3 | 6.1 | 2.3 |
Completeness [%] | 86.2 | 94.4 | 85 |
Redundancy | 1.5 | 1.6 | 1.5 |
CC(1/2) | 0.957 | 0.984 | 0.898 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293.15 | 0.1M PCTP pH 7.0, 25% w/v PEG 1500 |