3IV8
N-acetylglucosamine-6-phosphate deacetylase from Vibrio cholerae complexed with fructose 6-phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-02 |
| Detector | SBC-3 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 83.181, 123.047, 156.286 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.180 - 2.530 |
| R-factor | 0.186 |
| Rwork | 0.183 |
| R-free | 0.25300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3egj |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.609 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.200 | 2.570 |
| High resolution limit [Å] | 2.530 | 2.530 |
| Rmerge | 0.111 | 0.680 |
| Number of reflections | 54289 | |
| <I/σ(I)> | 6.7 | 2.09 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.8 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.2 M di-sodium hydrogen phosphate, 20% PEG-3350, 5 mM fructose 6-phosphate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
