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 |