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 |
