6HA3
Human transketolase variant E160Q in covalent complex with donor ketose D-fructose-6-phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-11-08 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.85 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 114.070, 86.090, 73.210 |
Unit cell angles | 90.00, 125.22, 90.00 |
Refinement procedure
Resolution | 24.558 - 1.080 |
R-factor | 0.1123 |
Rwork | 0.111 |
R-free | 0.12950 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.832 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 24.558 | 1.800 | 1.150 |
High resolution limit [Å] | 1.080 | 1.700 | 1.080 |
Rmerge | 0.052 | 0.074 | 0.677 |
Rmeas | 0.057 | 0.081 | 0.743 |
Number of reflections | 238255 | 9744 | 39930 |
<I/σ(I)> | 13.94 | 19.78 | 2.43 |
Completeness [%] | 96.4 | 98.1 | 94.4 |
Redundancy | 5.806 | 6.024 | 5.826 |
CC(1/2) | 0.999 | 0.996 | 0.783 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.9 | 277 | 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 |