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 |