8GFL
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with 4-Nitrophenyl N,N' diacetyl-beta-D-chitobioside 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 | 177.067, 177.067, 177.067 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.510 - 2.360 |
R-factor | 0.1677 |
Rwork | 0.166 |
R-free | 0.20600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6cf9 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.588 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0349) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.510 | 2.420 |
High resolution limit [Å] | 2.360 | 2.360 |
Rmerge | 0.131 | 0.894 |
Number of reflections | 37836 | 2547 |
<I/σ(I)> | 21 | 3 |
Completeness [%] | 99.4 | 92.3 |
Redundancy | 20.3 | 17.1 |
CC(1/2) | 0.999 | 0.786 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.9 | 293 | 0.1 M sodium citrate pH 5.9 and 26% (v/v) PEG 600. Protein buffer was 10 mM HEPES pH 8.0, 200 mM ammonium acetate |