8GFC
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with Fv17b 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 | 176.494, 176.494, 176.494 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.470 - 2.480 |
R-factor | 0.1802 |
Rwork | 0.178 |
R-free | 0.21490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6cf9 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.479 |
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] | 39.470 | 39.470 | 2.590 |
High resolution limit [Å] | 2.480 | 8.960 | 2.480 |
Rmerge | 0.148 | 0.093 | 0.992 |
Rmeas | 0.156 | 0.098 | 1.049 |
Rpim | 0.048 | 0.030 | 0.336 |
Total number of observations | 325650 | 7465 | 31163 |
Number of reflections | 32058 | 736 | 3428 |
<I/σ(I)> | 8.2 | 17.3 | 1.6 |
Completeness [%] | 99.3 | 98.9 | 94.1 |
Redundancy | 10.2 | 10.1 | 9.1 |
CC(1/2) | 0.995 | 0.993 | 0.736 |
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. |