4K60
Crystal Structure of Human Chymase in Complex with Fragment 6-bromo-1,3-dihydro-2H-indol-2-one
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-15 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9099 |
| Spacegroup name | P 43 |
| Unit cell lengths | 74.615, 74.615, 49.738 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.369 - 1.500 |
| R-factor | 0.1816 |
| Rwork | 0.180 |
| R-free | 0.20070 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.114 |
| Data reduction software | d*TREK (9.9.9.4L) |
| Data scaling software | d*TREK |
| Phasing software | CNX |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 33.370 | 33.370 | 1.550 |
| High resolution limit [Å] | 1.500 | 3.230 | 1.500 |
| Rmerge | 0.077 | 0.051 | 0.467 |
| Total number of observations | 27261 | 26308 | |
| Number of reflections | 43872 | ||
| <I/σ(I)> | 10.4 | 26.5 | 3 |
| Completeness [%] | 99.9 | 99.9 | 100 |
| Redundancy | 6.04 | 6.01 | 5.98 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 298 | 26-33% PEG8000, 0.1 M Tris, pH 8.0, 2 mM zinc sulfate, VAPOR DIFFUSION, temperature 298K |
