1B0E
CRYSTAL STRUCTURE OF PORCINE PANCREATIC ELASTASE WITH MDL 101,146
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | SIEMENS |
| Temperature [K] | 287 |
| Detector technology | AREA DETECTOR |
| Collection date | 1993-10-19 |
| Detector | SIEMENS |
| Spacegroup name | P 31 |
| Unit cell lengths | 69.100, 69.100, 51.100 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 8.000 - 1.800 |
| R-factor | 0.18 |
| Rwork | 0.180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3est |
| RMSD bond length | 0.009 |
| RMSD bond angle | 26.400 * |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.050 * | 0.292 * |
| Total number of observations | 101240 * | |
| Number of reflections | 24302 | |
| Completeness [%] | 93.4 | 83.2 |
| Redundancy | 4.2 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | SITTING DROP PROCEDURE. PROTEIN DROP: 13 MG/ML PPE (SERVA) 9.3 MM SODIUM ACETATE (PH 5.0), 22.4 MM SODIUM SULFATE, 2.2 MM MDL 103,139 IN DMF RESERVOIR: 10 MM SODIUM ACETATE (PH 5.0), 20 MM SODIUM SULFATE., vapor diffusion - sitting drop |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 13 (mg/ml) | |
| 2 | 1 | drop | sodium acetate | 9.3 (mM) | |
| 3 | 1 | drop | sodium sulfate | 22.4 (mM) | |
| 4 | 1 | drop | MDL 103139 | 2.2 (mM) | |
| 5 | 1 | reservoir | sodium acetate | 10 (mM) | |
| 6 | 1 | reservoir | sodium sulfate | 20 (mM) |
