3DT1
P38 Complexed with a quinazoline inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ DW |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-10-09 |
Detector | RIGAKU SATURN 92 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.664, 86.056, 119.345 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.800 |
Rwork | 0.214 |
R-free | 0.27980 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | EPMR |
Refinement software | CNS |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.800 |
Rmerge | 0.145 |
Number of reflections | 12134 |
<I/σ(I)> | 10.9 |
Completeness [%] | 92.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 295 | 1.6 M ammonium sulfate, 100 mM HEPES, pH 7.5, VAPOR DIFFUSION, temperature 295K |