3FRK
X-ray structure of QdtB from T. thermosaccharolyticum in complex with a PLP:TDP-3-aminoquinovose aldimine
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 | 2008-02-09 |
| Detector | SBC-3 |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 61 |
| Unit cell lengths | 109.100, 109.100, 177.900 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.150 |
| R-factor | 0.215 |
| Rwork | 0.213 |
| R-free | 0.26900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oge |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.250 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Number of reflections | 60951 | |
| <I/σ(I)> | 22.6 | 3.1 |
| Completeness [%] | 93.7 | 93 |
| Redundancy | 8.4 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 20% PEG 5000, 0.2M NaCl, 0.1M HEPPS, 0.02M dTDP-3-aminoquinovose, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
