3QXH
Crystal structure of dethiobiotin synthetase (BioD) from Helicobacter pylori complexed with ADP 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 | 81.526, 37.967, 68.795 |
| Unit cell angles | 90.00, 101.15, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.360 |
| R-factor | 0.11855 |
| Rwork | 0.117 |
| R-free | 0.14245 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qmo |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.707 |
| 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 | 0.026 | 0.070 |
| Number of reflections | 43544 | |
| <I/σ(I)> | 47.3 | 13.2 |
| Completeness [%] | 97.7 | 81.1 |
| Redundancy | 4 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 20% PEG3350; 150 MM NH4NO3; 100 MM BIS-TRIS; SOAKED WITH 10 MM ATP, 10 MM MGCL2, 10 MM 8-AMINOOCTANOIC ACID; IN SITU PROTEOLYSIS - CHYMOTRYPSIN, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
