8GEZ
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with LV8036 inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-11-03 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9201 |
Spacegroup name | I 2 3 |
Unit cell lengths | 176.757, 176.757, 176.757 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.460 - 1.990 |
R-factor | 0.1894 |
Rwork | 0.188 |
R-free | 0.21710 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.460 | 2.050 |
High resolution limit [Å] | 1.990 | 1.990 |
Rmerge | 0.085 | 1.000 |
Number of reflections | 62220 | 4488 |
<I/σ(I)> | 26.2 | |
Completeness [%] | 99.8 | 97.7 |
Redundancy | 23.1 | |
CC(1/2) | 1.000 | 0.866 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 298 | 0.1 M sodium citrate pH 5.9 and 26% (v/v) PEG 600. Protein buffer was 10mM HEPES pH 8.0, 200mM ammonium acetate |