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 |
