4KXV
Human transketolase in covalent complex with donor ketose D-xylulose-5-phosphate, crystal 1
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 | 113.670, 85.980, 73.000 |
| Unit cell angles | 90.00, 125.30, 90.00 |
Refinement procedure
| Resolution | 30.000 - 0.970 |
| R-factor | 0.0944 |
| Rwork | 0.094 |
| R-free | 0.11440 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3mos |
| RMSD bond length | 0.016 |
| RMSD bond angle | 320.000 |
| 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 | 1.030 |
| High resolution limit [Å] | 0.970 | 10.000 | 0.970 |
| Rmerge | 0.052 | 0.024 | 0.365 |
| Number of reflections | 301825 | 184 | 39389 |
| <I/σ(I)> | 14.98 | 47.12 | 3.55 |
| Completeness [%] | 91.4 | 54.1 | 71 |
| Redundancy | 3.9 |
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 |
