8GFG
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with Z7912 inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-03-22 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9201 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 176.299, 176.299, 176.299 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.380 - 2.480 |
| R-factor | 0.174 |
| Rwork | 0.172 |
| R-free | 0.21590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6cf9 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.466 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0349) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.380 | 29.380 | 2.550 |
| High resolution limit [Å] | 2.480 | 11.100 | 2.480 |
| Rmerge | 0.127 | 0.041 | 1.969 |
| Rmeas | 0.130 | 0.043 | 2.027 |
| Rpim | 0.029 | 0.009 | 0.468 |
| Total number of observations | 663176 | 7424 | 39960 |
| Number of reflections | 32190 | 378 | 2317 |
| <I/σ(I)> | 17.8 | 65.6 | 1.3 |
| Completeness [%] | 99.7 | 94.9 | 96.5 |
| Redundancy | 20.6 | 19.6 | 17.2 |
| CC(1/2) | 0.999 | 1.000 | 0.536 |
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 |
