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 |