4WH3
N-acetylhexosamine 1-kinase in complex with ATP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-01-26 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97924 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.030, 88.471, 105.219 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.604 - 1.800 |
R-factor | 0.1906 |
Rwork | 0.189 |
R-free | 0.22220 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.067 |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.046 | 0.408 |
Number of reflections | 73240 | |
<I/σ(I)> | 43.4 | 4.6 |
Completeness [%] | 99.0 | 99.8 |
Redundancy | 7.5 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | PEG 8000, magnesium acetate, sodium cacodylate |