4NZ5
Structure of Vibrio cholerae chitin de-N-acetylase in complex with 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE (NDG) and cadmium ion
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-06-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.664, 112.525, 69.815 |
| Unit cell angles | 90.00, 94.35, 90.00 |
Refinement procedure
| Resolution | 44.441 - 1.874 |
| R-factor | 0.1698 |
| Rwork | 0.168 |
| R-free | 0.20090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ny2 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.985 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.441 | 1.940 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmerge | 0.068 | 0.493 |
| Number of reflections | 75551 | |
| <I/σ(I)> | 9.05 | 1.94 |
| Completeness [%] | 98.0 | 97.1 |
| Redundancy | 2.7 | 2.88 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.1M HEPES pH 7.5, 0.05M cadmium sulfate, 1M Na(OAc), VAPOR DIFFUSION, SITTING DROP, temperature 291K |
