3MNS
Investigation of global and local effects of radiation damage on porcine pancreatic elastase. Third stage of radiation damage
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-26 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.169, 57.782, 74.543 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.668 - 1.497 |
| R-factor | 0.141 |
| Rwork | 0.140 |
| R-free | 0.16840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gvk |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.037 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | AMoRE |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.036 | 0.778 |
| Number of reflections | 35266 | |
| <I/σ(I)> | 33.4 | 2.64 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.1 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 297 | The initial concentration of the protein was 10 mg/ml in water. The reservoir contained 25 mM Na2SO4, pH = 8.2. The cryo-solution contained 25 mM Na2SO4 and 25% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 297K |
