4K2Y
Crystal Structure of Human Chymase in Complex with Fragment Inhibitor 6-chloro-1,3-dihydro-2H-indol-2-one
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-05-11 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 |
Unit cell lengths | 74.405, 74.405, 49.701 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.636 - 2.300 |
R-factor | 0.182 |
Rwork | 0.178 |
R-free | 0.25110 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.007 |
RMSD bond angle | 1.072 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | CNS |
Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.330 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.153 | 0.441 |
Number of reflections | 11128 | |
<I/σ(I)> | 5.9 | 2.5 |
Completeness [%] | 90.8 | 91.9 |
Redundancy | 3.54 | 3.46 |
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 |