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 | 2019-10-17 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.731, 166.686, 45.131 |
Unit cell angles | 90.00, 112.34, 90.00 |
Refinement procedure
Resolution | 83.343 - 2.370 |
Rwork | 0.203 |
R-free | 0.24540 |
Structure solution method | SAD |
RMSD bond length | 0.001 |
RMSD bond angle | 1.001 |
Data reduction software | XDS |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 83.343 | 2.450 |
High resolution limit [Å] | 2.370 | 2.370 |
Number of reflections | 24725 | 2575 |
<I/σ(I)> | 25 | |
Completeness [%] | 99.9 | |
Redundancy | 23 | |
CC(1/2) | 0.970 | 0.970 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1M carboxylic acid, 8% MPD_P1K_P33 0.1M MOPS/HEPES-Na pH 8.0 |