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 |