2QPJ
Human NEP complexed with a bifunctional NEP/DPP IV inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-08-14 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 107.123, 107.123, 112.375 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.050 |
| R-factor | 0.20976 |
| Rwork | 0.207 |
| R-free | 0.26766 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dtm |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.737 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MERLOT |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.515 | |
| Number of reflections | 43955 | |
| <I/σ(I)> | 10.7 | 1.8 |
| Completeness [%] | 93.2 | 85.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 294 | 25% PEG 3350, 200mM ammonium sulfate, pH 7.5, VAPOR DIFFUSION, temperature 294K |
