1QGF
PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3R, 4S)N-PARA-TOLUENESULPHONYL-3-ETHYL-4-(CARBOXYLIC ACID)PYRROLIDIN-2-ONE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-03 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.220, 57.630, 74.480 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.800 - 1.700 |
| Rwork | 0.183 |
| R-free | 0.21000 |
| Structure solution method | OTHER |
| Starting model (for MR) | 3est |
| RMSD bond length | 0.015 |
| RMSD bond angle | 0.024 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.760 | 1.740 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.036 | 0.111 |
| Total number of observations | 153319 * | |
| Number of reflections | 23759 | |
| <I/σ(I)> | 16.82 | 12.12 |
| Completeness [%] | 97.6 | 95.2 |
| Redundancy | 3.88 | 3.37 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 5 | 25MM SODIUM SULPHATE, 25MM SODIUM ACETATE, PH 5.0; THEN SOAKED IN 25 MM SODIUM SULPHATE, 50MM SODIUM ACETATE, 20 MG/ML GAMMA-LACTAM, 10% (V/V) DMSO, PH 5.0 FOR 24 HOURS, pH 5.00 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | alpha-lactam | (mg/ml) | |
| 2 | 1 | 1 | sodium acetate | (mM) | |
| 3 | 1 | 1 | sodium sulfate | (mM) | |
| 4 | 1 | 1 | PPE | (mg/ml) | |
| 5 | 1 | 1 | DMSO | (%(v/v)) |
