3ELO
Crystal Structure of Human Pancreatic Prophospholipase A2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCED ULTRA |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2007-12-14 |
| Detector | OXFORD RUBY CCD |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 63 |
| Unit cell lengths | 56.549, 56.549, 60.631 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 18.680 - 1.550 |
| R-factor | 0.147 |
| Rwork | 0.145 |
| R-free | 0.18300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.365 |
| Data reduction software | CrysalisPro |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0044) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 18.683 | 19.050 | 1.630 |
| High resolution limit [Å] | 1.550 | 4.900 | 1.550 |
| Rmerge | 0.072 | 0.027 | 0.513 |
| Total number of observations | 3949 | 8749 | |
| Number of reflections | 16060 | ||
| <I/σ(I)> | 7.879 | 24.8 | 1.4 |
| Completeness [%] | 99.9 | 98.3 | 100 |
| Redundancy | 5.2 | 7.5 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.4 | 298 | 0.1M Tris, 0.2M lithium sulfate, 33% PEG 4000, pH 8.4, vapor diffusion, temperature 298K |
