1DLK
CRYSTAL STRUCTURE ANALYSIS OF DELTA-CHYMOTRYPSIN BOUND TO A PEPTIDYL CHLOROMETHYL KETONE INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-10-20 |
| Detector | MARRESEARCH |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 121.170, 121.170, 116.080 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 * - 2.140 |
| R-factor | 0.212 * |
| Rwork | 0.207 |
| R-free | 0.25100 * |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.000 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.180 |
| High resolution limit [Å] | 2.140 | 2.140 |
| Rmerge | 0.081 | 0.435 * |
| Total number of observations | 308959 * | |
| Number of reflections | 48065 * | |
| <I/σ(I)> | 22.6 | |
| Completeness [%] | 99.6 * | 100 |
| Redundancy | 6.6 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 2.6 M ammonium sulfate, 200 mM MES-HCl, 10 mM CoCl2, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 30 (mg/ml) | |
| 2 | 1 | reservoir | ammonium sulfate | 2.6 (M) | |
| 3 | 1 | reservoir | 10 (mM) | ||
| 4 | 1 | reservoir | MES-HCl | 200 (mM) |
