3HK1
Identification and Characterization of a Small Molecule Inhibitor of Fatty Acid Binding Proteins
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 125 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-09-09 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 77.017, 94.113, 49.662 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.770 - 1.700 |
| R-factor | 0.176 |
| Rwork | 0.175 |
| R-free | 0.19500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lib |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.855 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP (9.4.09) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.770 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 20158 | |
| <I/σ(I)> | 49.1 | 6.5 |
| Completeness [%] | 99.8 | 98.4 |
| Redundancy | 6.8 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 2.5 M sodium/potassium phosphate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
