2NPA
the crystal structure of the human PPARaplpha ligand binding domain in complex with a a-hydroxyimino phenylpropanoic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | MACSCIENCE |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-02-20 |
Detector | MAC Science DIP-2030 |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.909, 100.074, 61.311 |
Unit cell angles | 90.00, 100.14, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.300 |
Rwork | 0.220 |
R-free | 0.26000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1k7l |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 2.340 |
High resolution limit [Å] | 2.300 | 6.180 | 2.300 |
Rmerge | 0.059 | 0.030 | 0.376 |
Number of reflections | 29916 | ||
<I/σ(I)> | 18.1 | ||
Completeness [%] | 95.9 | 85.1 | 97.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 6% PEG 10K. 0.1M Hepes, 6% ethylene glycol, pH 7.5, VAPOR DIFFUSION, HANGING DROP |