3PNM
Crystal Structure of E.coli Dha kinase DhaK (H56A)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-06-15 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 |
Unit cell lengths | 59.756, 82.531, 93.068 |
Unit cell angles | 77.93, 77.90, 71.02 |
Refinement procedure
Resolution | 41.710 - 2.550 |
R-factor | 0.1753 |
Rwork | 0.172 |
R-free | 0.22910 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.381 |
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] | 41.710 | 50.000 | 2.640 |
High resolution limit [Å] | 2.550 | 5.490 | 2.550 |
Rmerge | 0.150 | 0.062 | 0.508 |
Number of reflections | 52242 | ||
<I/σ(I)> | 7 | ||
Completeness [%] | 98.7 | 99.5 | 98 |
Redundancy | 2.9 | 2.9 | 3 |
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 |