8GFD
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with Z3252 inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-12-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 177.253, 177.253, 177.253 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.630 - 1.860 |
| R-factor | 0.1809 |
| Rwork | 0.180 |
| R-free | 0.20340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6cf9 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.753 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0349) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.630 | 39.630 | 1.890 |
| High resolution limit [Å] | 1.860 | 9.280 | 1.860 |
| Rmerge | 0.095 | 0.040 | 2.235 |
| Rmeas | 0.098 | 0.041 | 2.312 |
| Rpim | 0.023 | 0.010 | 0.579 |
| Total number of observations | 1373660 | 12248 | 66956 |
| Number of reflections | 77756 | 673 | 4427 |
| <I/σ(I)> | 16 | 44.2 | 1.2 |
| Completeness [%] | 99.7 | 98.6 | 95.6 |
| Redundancy | 17.7 | 18.2 | 15.1 |
| CC(1/2) | 0.999 | 1.000 | 0.611 |
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 buffer |
