4KXU
Human transketolase in covalent complex with donor ketose D-fructose-6-phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.93939 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 113.760, 85.880, 72.990 |
| Unit cell angles | 90.00, 125.31, 90.00 |
Refinement procedure
| Resolution | 30.000 - 0.980 |
| R-factor | 0.1015 |
| Rwork | 0.102 |
| R-free | 0.12240 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3mos |
| RMSD bond length | 0.014 |
| RMSD bond angle | 305.000 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | SHELX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 50.000 | 1.050 |
| High resolution limit [Å] | 0.980 | 10.000 | 0.980 |
| Rmerge | 0.051 | 0.020 | 0.503 |
| Number of reflections | 300587 | 266 | 47462 |
| <I/σ(I)> | 16.09 | 67.76 | 2.93 |
| Completeness [%] | 91.8 | 78.2 | 77.8 |
| Redundancy | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.9 | 279 | Reservoir mixture of 13.5-15 % PEG 6000 (w/v), 4% PEG 400 (v/v), 2 % glycerol (v/v) , pH 7.9, VAPOR DIFFUSION, HANGING DROP, temperature 279.0K |
