3M7I
Crystal structure of transketolase in complex with thiamine diphosphate, ribose-5-phosphate(pyranose form) and magnesium ion
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 | 2010-02-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9794 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 130.337, 70.955, 69.189 |
| Unit cell angles | 90.00, 109.40, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.750 |
| R-factor | 0.17121 |
| Rwork | 0.167 |
| R-free | 0.21076 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3m34 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.858 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.094 | 0.415 |
| Number of reflections | 57827 | |
| <I/σ(I)> | 12.7 | 3.2 |
| Completeness [%] | 97.5 | 99.9 |
| Redundancy | 3.2 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | .2 M NaCl 30% Peg 400 0.1 M HEPES 10 mM RP5, 10 mM TPP, 1mM MgCl2, pH 7.5, VAPOR DIFFUSION, SITTING DROP |
