4H4F
Crystal structure of human chymotrypsin C (CTRC) bound to inhibitor eglin c from Hirudo medicinalis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.272, 76.253, 81.823 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.780 - 1.900 |
| R-factor | 0.1599 |
| Rwork | 0.157 |
| R-free | 0.20960 |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.066 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.784 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.043 | 0.146 |
| Number of reflections | 27661 | |
| <I/σ(I)> | 51.3 | 9 |
| Completeness [%] | 97.3 | 76.8 |
| Redundancy | 6.8 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.2 M lithium sulfate monohydrate, 0.1 M TRIS hydrochloride and 30 % (w/v) PEG 4000 , pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
