4NZ1
Structure of Vibrio cholerae chitin de-N-acetylase in complex with DI(N-ACETYL-D-GLUCOSAMINE) (CBS) in P 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 | CCD |
Collection date | 2012-10-19 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 60.394, 124.468, 62.244 |
Unit cell angles | 90.00, 111.00, 90.00 |
Refinement procedure
Resolution | 29.050 - 2.051 |
R-factor | 0.1486 |
Rwork | 0.146 |
R-free | 0.19730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ny2 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.183 |
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] | 29.055 | 2.120 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.084 | 0.408 |
Number of reflections | 53316 | |
<I/σ(I)> | 7.91 | 2.02 |
Completeness [%] | 99.3 | 94.37 |
Redundancy | 1.9 | 1.86 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 0.1M Tris pH 8.5, 0.2M CaCl2, 20% (w/v) PEG 4000, VAPOR DIFFUSION, SITTING DROP, temperature 291K |