1DTD
CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN THE LEECH CARBOXYPEPTIDASE INHIBITOR AND THE HUMAN CARBOXYPEPTIDASE A2 (LCI-CPA2)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-01-01 |
| Detector | RIGAKU |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 80.439, 80.439, 114.464 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 12.000 - 1.650 |
| R-factor | 0.187 |
| Rwork | 0.187 |
| R-free | 0.23400 |
| RMSD bond length | 0.008 * |
| RMSD bond angle | 1.700 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.750 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.092 | 0.150 |
| Total number of observations | 433570 * | |
| Number of reflections | 52605 | |
| <I/σ(I)> | 80 | |
| Completeness [%] | 98.0 | 98 |
| Redundancy | 5 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7.5 | 4, 20 * | drop consists of equal volume of protein and reservoir solutions * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10-15 (mg/ml) | |
| 2 | 1 | drop | 0.1 (M) | ||
| 3 | 1 | drop | Tris-HCl | 10 (mM) | |
| 4 | 1 | reservoir | ammonium phosphate | 1.0 (M) | |
| 5 | 1 | reservoir | sodium citrate | 0.1 (M) |
