2H1U
Porcine pancreatic elastase complexed with MetPheLeuGlu at pH 5.0
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 127 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-10-10 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.084, 57.570, 74.146 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.540 - 1.600 |
| R-factor | 0.18363 |
| Rwork | 0.182 |
| R-free | 0.20490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3est |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.413 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.450 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.042 | 0.208 |
| Number of reflections | 27749 | |
| <I/σ(I)> | 21.3 | 4.8 |
| Completeness [%] | 96.1 | 91.9 |
| Redundancy | 3.6 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 294 | 25mm sodium sulphate, 25mm sodium acetate (ph 5.0), 25mg/ml PPE, 17.5mg/ml MFLE , VAPOR DIFFUSION, HANGING DROP, temperature 294K |
