4U10
Probing the structure and mechanism of de-N-acetylase from aggregatibacter actinomycetemcomitans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-12-01 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.240, 67.100, 101.010 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.480 - 2.050 |
R-factor | 0.1654 |
Rwork | 0.163 |
R-free | 0.21956 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vus |
RMSD bond length | 0.017 |
RMSD bond angle | 1.746 |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.120 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.100 | |
Number of reflections | 28980 | |
<I/σ(I)> | 34.1 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 9.4 | 7.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 20% PEG 6000, 0.01M ZnCl2, 0.1M HEPES |