8GFB
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with Fv16b inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-1 |
| Synchrotron site | SSRL |
| Beamline | BL12-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-04-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 176.755, 176.755, 176.755 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.680 - 2.170 |
| R-factor | 0.1819 |
| Rwork | 0.180 |
| R-free | 0.21820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6cf9 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.540 |
| 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] | 37.680 | 37.680 | 2.240 |
| High resolution limit [Å] | 2.170 | 8.950 | 2.170 |
| Rmerge | 0.141 | 0.053 | 1.533 |
| Rmeas | 0.148 | 0.056 | 1.616 |
| Rpim | 0.046 | 0.017 | 0.508 |
| Total number of observations | 499588 | 7512 | 41659 |
| Number of reflections | 48456 | 742 | 4186 |
| <I/σ(I)> | 8.1 | 17.7 | 1.6 |
| Completeness [%] | 99.9 | 98.8 | 99.1 |
| Redundancy | 10.3 | 10.1 | 10 |
| CC(1/2) | 0.997 | 0.997 | 0.668 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 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. |
