4NZ3
Structure of Vibrio cholerae chitin de-N-acetylase in complex with DI(N-ACETYL-D-GLUCOSAMINE) (CBS) in P 21 21 21
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2012-10-20 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.684, 98.142, 152.988 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.711 - 2.114 |
R-factor | 0.153 |
Rwork | 0.150 |
R-free | 0.21280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ny2 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.253 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.711 | 2.190 |
High resolution limit [Å] | 2.110 | 2.110 |
Rmerge | 0.136 | 0.474 |
Number of reflections | 54749 | |
<I/σ(I)> | 7.77 | 2.82 |
Completeness [%] | 96.9 | 86.28 |
Redundancy | 4.3 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 0.1M Tris-HCl pH 8.5, 0.1M MgCl2, 17% (w/v) PEG 20000, VAPOR DIFFUSION, SITTING DROP, temperature 291K |