8GF0
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with LV8044 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) | 0.97946 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 177.167, 177.167, 177.167 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.620 - 1.890 |
| R-factor | 0.1892 |
| Rwork | 0.188 |
| R-free | 0.21000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.707 |
| 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] | 39.620 | 39.620 | 1.930 |
| High resolution limit [Å] | 1.890 | 9.240 | 1.890 |
| Rmerge | 0.090 | 0.024 | 2.032 |
| Rmeas | 0.092 | 0.024 | 2.096 |
| Rpim | 0.022 | 0.006 | 0.505 |
| Total number of observations | 1318346 | 12396 | 73953 |
| Number of reflections | 73858 | 681 | 4449 |
| <I/σ(I)> | 21 | 86.1 | 1.5 |
| Completeness [%] | 99.8 | 98.8 | 97.1 |
| Redundancy | 17.8 | 18.2 | 16.6 |
| CC(1/2) | 1.000 | 1.000 | 0.530 |
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 |
