4NZ4
Structure of Vibrio cholerae chitin de-N-acetylase in complex with 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE (NDG) and zinc 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) | 1.75000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.478, 111.849, 69.043 |
Unit cell angles | 90.00, 93.66, 90.00 |
Refinement procedure
Resolution | 47.348 - 1.944 |
R-factor | 0.1681 |
Rwork | 0.166 |
R-free | 0.21080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ny2 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.335 |
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] | 47.350 | 2.010 |
High resolution limit [Å] | 1.940 | 1.940 |
Rmerge | 0.105 | 0.492 |
Number of reflections | 64954 | |
<I/σ(I)> | 7.07 | 2.02 |
Completeness [%] | 96.9 | 94.9 |
Redundancy | 2.83 | 3.17 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 80mM MES pH 6.5, 0.16M Ca(OAc)2, 14.4% PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 291K |