3JS1
Crystal structure of adipocyte fatty acid binding protein covalently modified with 4-hydroxy-2-nonenal
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 | 2008-08-20 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.331, 81.310, 92.697 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.860 - 1.810 |
| R-factor | 0.19827 |
| Rwork | 0.197 |
| R-free | 0.22771 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lie |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.323 |
| 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] | 20.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 35084 | |
| <I/σ(I)> | 20.28 | 1.49 |
| Completeness [%] | 97.4 | 63.6 |
| Redundancy | 4.4 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 1.9 M Sodium/potassium phosphate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
