3QXX
Crystal structure of dethiobiotin synthetase (BioD) from Helicobacter pylori complexed with GDP and 8-aminocaprylic acid
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 | 2008-07-11 |
| Detector | SBC-3 |
| Wavelength(s) | 0.9793 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 81.883, 37.845, 68.839 |
| Unit cell angles | 90.00, 101.30, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.360 |
| R-factor | 0.13125 |
| Rwork | 0.130 |
| R-free | 0.16171 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qmo |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.683 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.380 |
| High resolution limit [Å] | 1.360 | 1.360 |
| Rmerge | 0.061 | 0.386 |
| Number of reflections | 43768 | |
| <I/σ(I)> | 29.5 | 2.5 |
| Completeness [%] | 98.1 | 86.6 |
| Redundancy | 3.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 20% PEG3350; 100 MM NH4NO3; 100 MM BIS-TRIS; 5% GLYCEROL; SOAKED WITH 10 MM GDP, 10 MM MGCL2, 10 MM 8-AMINOOCTANOIC ACID; IN SITU PROTEOLYSIS - CHYMOTRYPSIN, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
