3N7O
X-ray structure of human chymase in complex with small molecule inhibitor.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 32-ID |
| Synchrotron site | APS |
| Beamline | 32-ID |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2005-04-09 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 124.475, 124.475, 124.475 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.362 - 1.800 |
| R-factor | 0.1846 |
| Rwork | 0.183 |
| R-free | 0.20990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pjp |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.219 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 29810 | |
| <I/σ(I)> | 37.1 | 7.5 |
| Redundancy | 9.2 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 298 | 45% Methanol and 0.1M sodium malonate pH 4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
