3DX5
Crystal structure of the probable 3-DHS dehydratase AsbF involved in the petrobactin synthesis from Bacillus anthracis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-02-15 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9793 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 134.483, 134.483, 72.806 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.400 - 2.120 |
R-factor | 0.15 |
Rwork | 0.148 |
R-free | 0.17800 |
Structure solution method | SAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.468 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.4.0078) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.400 | 2.190 |
High resolution limit [Å] | 2.110 | 2.110 |
Rmerge | 0.144 | 0.534 |
Number of reflections | 22726 | |
<I/σ(I)> | 9.1 | 6.7 |
Completeness [%] | 99.9 | 99.4 |
Redundancy | 13.9 | 12.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.1M Tris pH8.5, 3.2 M soudium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 298K |