7RMQ
Crystal structure of cycloviolacin O2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-16 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 27.998, 24.735, 29.913 |
Unit cell angles | 90.00, 113.89, 90.00 |
Refinement procedure
Resolution | 27.350 - 1.170 |
R-factor | 0.2137 |
Rwork | 0.212 |
R-free | 0.23170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2knm |
RMSD bond length | 0.009 |
RMSD bond angle | 1.404 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.18.2_3874)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.350 | 1.212 |
High resolution limit [Å] | 1.170 | 1.170 |
Number of reflections | 12686 | 1232 |
<I/σ(I)> | 7.73 | |
Completeness [%] | 98.8 | |
Redundancy | 2 | |
CC(1/2) | 1.000 | 0.995 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M magnesium formate dihydrate, 20% (w/v) PEG3350 |