1QR3
Structure of porcine pancreatic elastase in complex with FR901277, a novel macrocyclic inhibitor of elastases at 1.6 angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1994-05-24 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.670, 57.840, 75.520 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 6.000 - 1.600 |
| Rwork | 0.197 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.900 |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.630 |
| High resolution limit [Å] | 1.570 | 1.570 |
| Rmerge | 0.034 | 0.042 |
| Number of reflections | 27336 | |
| <I/σ(I)> | 10.4 | |
| Completeness [%] | 85.0 | 86.9 |
| Redundancy | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 5 | 20 * | SODIUM SULFATE, SODIUM ACETATE, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | drop | sodium sulfate | 0.08 (M) | |
| 3 | 1 | drop | sodium acetate | 0.05 (M) | |
| 4 | 1 | drop | inhibitor | ||
| 5 | 1 | reservoir | sodium sulphate | 0.16 (M) | |
| 6 | 1 | reservoir | samarium acetate | 0.1 (M) |
