2NNQ
Crystal structure of human adipocyte fatty acid binding protein in complex with ((2'-(5-ethyl-3,4-diphenyl-1H-pyrazol-1-yl)-3-biphenylyl)oxy)acetic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | AREA DETECTOR |
| Collection date | 1999-04-22 |
| Detector | BRUKER |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 32.620, 53.930, 74.410 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 5.990 - 1.800 |
| R-factor | 0.193 |
| Rwork | 0.188 |
| R-free | 0.23500 |
| Structure solution method | MR |
| Starting model (for MR) | AP2 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.800 |
| Data reduction software | X-GEN |
| Data scaling software | X-GEN |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 1.910 |
| High resolution limit [Å] | 1.670 | 1.770 |
| Rmerge | 0.095 | 0.183 |
| Number of reflections | 12558 | |
| <I/σ(I)> | 13.9 | 3.3 |
| Completeness [%] | 78.6 | 64.9 |
| Redundancy | 3.8 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | 293 | ~70% saturated ammonium sulfate, pH 5.6, vapor diffusion, hanging drop, temperature 293K, pH 5.60 |
