3PNK
Crystal Structure of E.coli Dha kinase DhaK
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-12-15 |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.833, 91.507, 73.232 |
Unit cell angles | 90.00, 89.96, 90.00 |
Refinement procedure
Resolution | 49.830 - 2.210 |
R-factor | 0.1738 |
Rwork | 0.172 |
R-free | 0.20990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1oi2 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.354 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.830 | 50.000 | 2.290 |
High resolution limit [Å] | 2.210 | 4.760 | 2.210 |
Rmerge | 0.122 | 0.073 | 0.457 |
Number of reflections | 30618 | ||
<I/σ(I)> | 9.5 | ||
Completeness [%] | 93.3 | 99.7 | 81.1 |
Redundancy | 5.2 | 6.4 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 295 | 20% PEG 8000, 0.1M Sodium Citrate pH 5.6, vapor diffusion, sitting drop, temperature 295K |