7LAQ
Crystal structure of Campylobacter jejuni Cj0843c lytic transglycosylase in complex with N,N'-diacetylchitobiose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X17B1 |
| Synchrotron site | NSLS |
| Beamline | X17B1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-08-29 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97935 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 176.989, 176.989, 176.989 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.500 - 2.580 |
| R-factor | 0.1786 |
| Rwork | 0.176 |
| R-free | 0.22870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6cf9 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.523 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.520 | 2.650 |
| High resolution limit [Å] | 2.580 | 2.580 |
| Rmerge | 0.170 | 1.018 |
| Number of reflections | 28913 | 2029 |
| <I/σ(I)> | 13 | |
| Completeness [%] | 99.5 | |
| Redundancy | 13.9 | |
| CC(1/2) | 0.997 | 0.782 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100 sodium citrate buffer pH 5.1-6.0, and 25-33% PEG 600. The protein was concentrated to 10 mg/ml in 10 mM HEPES pH 8.0 and 200 mM ammonium sulfate |
