8GFH
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with Z7285 inhibitor soaked at 10 mM concentration
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 | 177.335, 177.335, 177.335 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.650 - 1.830 |
| R-factor | 0.1823 |
| Rwork | 0.181 |
| R-free | 0.21020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6cf9 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.714 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.9) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0349) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.650 | 39.650 | 1.860 |
| High resolution limit [Å] | 1.830 | 9.490 | 1.830 |
| Rmerge | 0.115 | 0.040 | 2.948 |
| Rmeas | 0.118 | 0.041 | 3.045 |
| Rpim | 0.028 | 0.010 | 0.748 |
| Total number of observations | 1435776 | 11343 | 67880 |
| Number of reflections | 81545 | 627 | 4346 |
| <I/σ(I)> | 11.1 | 33.5 | 0.6 |
| Completeness [%] | 99.8 | 98.6 | 97 |
| Redundancy | 17.6 | 18.1 | 15.6 |
| CC(1/2) | 0.999 | 0.999 | 0.606 |
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. |
