5HG1
Crystal Structure of Human Hexokinase 2 with cmpd 1, a C-2-substituted glucosamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-11-04 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 165.120, 165.120, 126.478 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 71.499 - 2.760 |
R-factor | 0.22 |
Rwork | 0.218 |
R-free | 0.26580 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.234 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 126.480 |
High resolution limit [Å] | 2.760 |
Number of reflections | 51701 |
<I/σ(I)> | 18.2 |
Completeness [%] | 100.0 |
Redundancy | 11.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 296 | protein: 6.6 mgs/mL, 10mM Tris HCL, pH=8, 0.1 M NaCl, 1mM DTT, 20mM MgCl2 Well: 0.2 M Na Citrate pH 5.5, 14-24 % PEG3350, 20 % ethylene glycol |