1WVX
Crystal structures of kinase domain of DAP kinase in complex with small molecular inhibitors
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-06-19 |
Detector | MARRESEARCH |
Wavelength(s) | 0.7100 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 77.337, 108.869, 50.186 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.600 |
R-factor | 0.2248 |
Rwork | 0.225 |
R-free | 0.26950 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.400 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.408 | 2.740 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.087 | 0.559 |
Number of reflections | 13618 | |
Completeness [%] | 99.9 | 99.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 283 | Tris-HCl, PEG400, PEG8000, glycerol, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 283K |