4NYY
Structure of Vibrio cholerae chitin de-N-acetylase in complex with acetate ion (ACT) in P 2 21 21
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-08-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00001 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 64.170, 165.010, 203.360 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.150 - 2.650 |
| R-factor | 0.2028 |
| Rwork | 0.202 |
| R-free | 0.22720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ny2 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.778 |
| 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] | 49.151 | 2.720 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.129 | 0.685 |
| Number of reflections | 63010 | |
| <I/σ(I)> | 8.08 | 2.67 |
| Completeness [%] | 96.65 | |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 0.1M sodium cacodylate pH 6.5, 1.4M Na(OAc), VAPOR DIFFUSION, SITTING DROP, temperature 291K |
