4NY2
Structure of Vibrio cholerae chitin de-N-acetylase in complex with acetate ion (ACT) in P 21
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-03-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.900, 112.540, 69.360 |
| Unit cell angles | 90.00, 94.05, 90.00 |
Refinement procedure
| Resolution | 29.500 - 1.879 |
| R-factor | 0.1486 |
| Rwork | 0.147 |
| R-free | 0.18500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2c1i |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.113 |
| 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] | 29.505 | 1.950 |
| High resolution limit [Å] | 1.879 | 1.880 |
| Rmerge | 0.513 | |
| Number of reflections | 76434 | |
| <I/σ(I)> | 2.19 | |
| Completeness [%] | 99.2 | 93.01 |
| Redundancy | 5.96 |
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% (w/v) PEG 8000, 20% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
