3M34
Crystal structure of transketolase in complex with thiamin diphosphate and calcium 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 | 2009-02-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9794 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 130.350, 70.819, 69.236 |
| Unit cell angles | 90.00, 109.92, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.650 |
| R-factor | 0.15294 |
| Rwork | 0.151 |
| R-free | 0.18186 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3l84 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.809 |
| 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 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.080 | 0.610 |
| Number of reflections | 70590 | |
| <I/σ(I)> | 17.6 | 2.2 |
| Completeness [%] | 99.4 | 99.9 |
| Redundancy | 3.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 293 | 0.1 M Ches ph 9.5 30 % PEG 400 10 mM TPP, 1mm CaCl2. Sitting drop, vapor diffusion method Temp 293 K, VAPOR DIFFUSION, SITTING DROP |
