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 | 2016-08-10 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.84920 |
Spacegroup name | P 63 |
Unit cell lengths | 106.320, 106.320, 58.670 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.390 - 1.170 |
Rwork | 0.119 |
R-free | 0.14500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4yjj |
RMSD bond length | 0.012 |
RMSD bond angle | 1.747 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.390 | 1.200 |
High resolution limit [Å] | 1.170 | 1.170 |
Number of reflections | 127070 | 127070 |
<I/σ(I)> | 21.3 | |
Completeness [%] | 100.0 | |
Redundancy | 14 | |
CC(1/2) | 1.000 | 0.510 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294 | MPD, PEG1000, PEG3350, Diethylene glycol, Triethylene glycol, Tetraethylene glycol, Pentaethylene glycol |