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 |