3M6L
Crystal structure of transketolase in complex with thiamine diphosphate, ribose-5-phosphate 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 | 2010-02-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9794 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 130.924, 71.462, 69.617 |
| Unit cell angles | 90.00, 109.48, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.590 |
| R-factor | 0.16173 |
| Rwork | 0.160 |
| R-free | 0.20086 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3m34 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.170 |
| 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 | 1.630 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Rmerge | 0.085 | 0.740 |
| Number of reflections | 76588 | |
| <I/σ(I)> | 19 | 1.9 |
| Completeness [%] | 94.8 | 72.1 |
| Redundancy | 3.8 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 291 | 0.2 M NaCl, 20 % PEG 1000, 0.1 M Na/K phosphate, 10mM TPP, 10 mM R5P, 1mM CaCl2, pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
