7RMR
Crystal structure of [I11L]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 | 2020-08-06 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.95372 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 27.095, 24.757, 30.244 |
Unit cell angles | 90.00, 115.24, 90.00 |
Refinement procedure
Resolution | 24.510 - 1.040 |
R-factor | 0.18 |
Rwork | 0.178 |
R-free | 0.19730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2knm |
RMSD bond length | 0.014 |
RMSD bond angle | 1.596 |
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] | 24.510 | 1.077 |
High resolution limit [Å] | 1.040 | 1.040 |
Rmerge | 0.040 | |
Number of reflections | 17453 | 1715 |
<I/σ(I)> | 6.47 | |
Completeness [%] | 99.0 | |
Redundancy | 1.9 | |
CC(1/2) | 0.998 | 0.912 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M sodium thiocyanate, 23% (w/v) PEG3350 |