4KXX
Human transketolase in covalent complex with donor ketose D-sedoheptulose-7-phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-22 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9841 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 113.675, 86.097, 73.017 |
| Unit cell angles | 90.00, 125.43, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.030 |
| R-factor | 0.1174 |
| Rwork | 0.117 |
| R-free | 0.14830 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3mos |
| RMSD bond length | 0.017 |
| RMSD bond angle | 326.000 |
| 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 | 1.080 | |
| High resolution limit [Å] | 1.030 | 30.000 | 1.030 |
| Rmerge | 0.053 | 0.534 | |
| Number of reflections | 279021 | 36822 | |
| <I/σ(I)> | 15.48 | 2.33 | |
| Completeness [%] | 98.9 | 98.6 | |
| Redundancy | 3 |
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 |
