8QHE
Crystal structure IR-09
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-05-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.969 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 79.255, 101.104, 36.388 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.890 - 1.600 |
R-factor | 0.1834 |
Rwork | 0.182 |
R-free | 0.21130 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.020 |
RMSD bond angle | 1.692 |
Data reduction software | DIALS |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.890 | 1.657 |
High resolution limit [Å] | 1.600 | 1.600 |
Rpim | 0.025 | 0.702 |
Number of reflections | 39488 | 3920 |
<I/σ(I)> | 12.24 | 1.16 |
Completeness [%] | 99.8 | 99.16 |
Redundancy | 12.4 | 11.9 |
CC(1/2) | 0.998 | 0.536 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M Magnesium chloride hexahydrate 0.1 M Tris 8.5 20 % w/v PEG 8000 |