Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2019-09-24 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.976246 |
Spacegroup name | P 1 |
Unit cell lengths | 69.335, 103.959, 170.127 |
Unit cell angles | 92.27, 97.71, 106.40 |
Refinement procedure
Resolution | 99.400 - 2.050 |
Rwork | 0.223 |
R-free | 0.25830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6t7g |
RMSD bond length | 0.008 |
RMSD bond angle | 1.437 |
Data reduction software | DIALS |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.597 | 2.090 |
High resolution limit [Å] | 2.050 | 2.050 |
Number of reflections | 277094 | 13602 |
<I/σ(I)> | 3.2 | 0.9 |
Completeness [%] | 98.1 | |
Redundancy | 3.5 | |
CC(1/2) | 0.980 | 0.655 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M ammonium tartrate pH 7.0, 13 % PEG 3350 |