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 |