7RMS
Crystal structure of [I11G]cycloviolacin O2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.96410 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 27.291, 25.108, 29.927 |
Unit cell angles | 90.00, 115.72, 90.00 |
Refinement procedure
Resolution | 24.110 - 1.100 |
R-factor | 0.1557 |
Rwork | 0.153 |
R-free | 0.17750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2knm |
RMSD bond length | 0.018 |
RMSD bond angle | 1.774 |
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] | 26.960 | 1.139 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.016 | |
Number of reflections | 14958 | 1474 |
<I/σ(I)> | 9.76 | |
Completeness [%] | 99.6 | |
Redundancy | 2 | |
CC(1/2) | 0.999 | 0.996 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M sodium thiocyanate, 27% (w/v) PEG3350 |