6P2D
Structure of mouse ketohexokinase-C in complex with fructose and ADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-12-22 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.54 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 42.252, 78.446, 150.772 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.960 - 1.790 |
Rwork | 0.170 |
R-free | 0.22000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3q92 |
Data reduction software | SAINT |
Data scaling software | SADABS |
Phasing software | PHENIX (1.10.1_2155) |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.960 | 1.860 |
High resolution limit [Å] | 1.790 | 1.790 |
Rmerge | 0.140 | 0.300 |
Rmeas | 0.150 | |
Number of reflections | 23632 | 2058 |
<I/σ(I)> | 14.3 | 6.4 |
Completeness [%] | 97.0 | 74 |
Redundancy | 1.88 | |
CC(1/2) | 0.990 | 0.950 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 290.15 | 1.2 M Ammonium Citrate Tribasic, 20% glycerol, 1.3 M KNO3, 100 mM MgCl2, 220 mM fructose, and 52 mM ADP |