5UGZ
Crystal structure of ClbQ from the colibactin NRPS/PKS pathway
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-07-24 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9767 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.971, 94.994, 68.444 |
Unit cell angles | 90.00, 109.18, 90.00 |
Refinement procedure
Resolution | 38.775 - 1.983 |
R-factor | 0.1548 |
Rwork | 0.151 |
R-free | 0.20760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3flb |
RMSD bond length | 0.007 |
RMSD bond angle | 0.902 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 38.780 |
High resolution limit [Å] | 1.980 |
Rmerge | 0.416 |
Number of reflections | 36972 |
<I/σ(I)> | 19.7 |
Completeness [%] | 98.3 |
Redundancy | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 4000, Lithium sulphate |