4FXY
Crystal structure of rat neurolysin with bound pyrazolidin inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 113 |
| Detector technology | CCD |
| Collection date | 2003-01-01 |
| Detector | SBC-2 |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 88.000, 131.400, 144.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.654 - 2.800 |
| R-factor | 0.2403 |
| Rwork | 0.235 |
| R-free | 0.28710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1i1i |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.807 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | PHENIX ((phenix.refine: 1.7.2_869)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Number of reflections | 43760 | |
| <I/σ(I)> | 8.8 | 3.1 |
| Completeness [%] | 99.7 | 99.7 |
| Redundancy | 4.1 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 0.1M HEPES, pH, 7.0, 0.1 M LiSO4, 2 mM -mercaptoethanol and 12-15% polyethylene glycol 4000., VAPOR DIFFUSION, HANGING DROP, temperature 277K |
