1H9L
PORCINE PANCREATIC ELASTASE COMPLEXED WITH ACETYL-VAL-GLU-PRO-ILE-COOH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-06-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.160, 57.840, 74.320 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.900 - 1.670 |
| R-factor | 0.159 |
| Rwork | 0.158 |
| R-free | 0.19900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qix |
| RMSD bond length | 0.019 |
| RMSD bond angle | 0.028 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.900 | 1.700 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rmerge | 0.072 | 0.250 |
| Total number of observations | 156137 * | |
| Number of reflections | 24944 | |
| <I/σ(I)> | 15 | 10 |
| Completeness [%] | 95.2 | 96.7 |
| Redundancy | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5 | 17 * | CRYSTALS PREPARED FROM 25MM SODIUM SULPHATE, 25MM SODIUM ACETATE (PH 5.0), 25 MG/ML PPE AND THEN SOAKED WITH ACETYL-VAL-GLU-PRO-ILE (17 MG/ML) DISSOLVED IN SODIUM ACETATE (PH 5.0, 50MM) AND SODIUM SULPHATE (25 MM) |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | PPE | 50 (mg/ml) | |
| 2 | 1 | drop | sodium acetate | 50 (mM) | pH5.0 |
| 3 | 1 | reservoir | 50 (mM) |
