8GFE
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with Z3261 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 | 175.474, 175.474, 175.474 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.240 - 2.420 |
| R-factor | 0.1896 |
| Rwork | 0.187 |
| R-free | 0.24520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6cf9 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.307 |
| 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] | 39.240 | 39.240 | 2.520 |
| High resolution limit [Å] | 2.420 | 9.070 | 2.420 |
| Rmerge | 0.130 | 0.043 | 4.060 |
| Rmeas | 0.134 | 0.044 | 4.182 |
| Rpim | 0.032 | 0.010 | 0.993 |
| Total number of observations | 607758 | 12763 | 60369 |
| Number of reflections | 34115 | 704 | 3524 |
| <I/σ(I)> | 13.5 | 46.7 | 0.6 |
| Completeness [%] | 99.8 | 98.8 | 98.3 |
| Redundancy | 17.8 | 18.1 | 17.1 |
| CC(1/2) | 0.999 | 0.999 | 0.528 |
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 |
