3LHX
Crystal structure of a Ketodeoxygluconokinase (kdgk) from Shigella flexneri
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-08-20 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 86.871, 169.014, 44.624 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 84.510 - 1.870 |
R-factor | 0.218 |
Rwork | 0.215 |
R-free | 0.25900 |
Structure solution method | SAD |
RMSD bond length | 0.018 |
RMSD bond angle | 1.505 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELXD |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 1.940 | |
High resolution limit [Å] | 1.870 | 1.870 |
Rmerge | 0.080 | 0.735 |
Number of reflections | 54906 | |
<I/σ(I)> | 30 | 2.89 |
Completeness [%] | 98.9 | 95.6 |
Redundancy | 5.5 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 25% PEG 3350, 0.2M Magnesium Chloride hexahydrate, 0.1M Bis-Tris pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |