Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-01-29 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 |
Unit cell lengths | 49.710, 53.820, 60.480 |
Unit cell angles | 90.11, 96.98, 94.66 |
Refinement procedure
Resolution | 40.577 - 1.560 |
Rwork | 0.176 |
R-free | 0.20900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5dyv |
RMSD bond length | 0.012 |
RMSD bond angle | 1.666 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.580 | 40.540 |
High resolution limit [Å] | 1.560 | 1.560 |
Rmeas | 0.033 | 0.047 |
Number of reflections | 84307 | 84307 |
<I/σ(I)> | 11.3 | 11.3 |
Completeness [%] | 95.5 | |
Redundancy | 3.5 | |
CC(1/2) | 1.000 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.25 M Magnesium Chloride 0.1M HEPES 10% PEG 6K |