3MNX
Investigation of global and local effects of radiation damage on porcine pancreatic elastase. Fourth 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 | 50.248, 57.831, 74.747 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 9.835 - 1.386 |
R-factor | 0.1175 |
Rwork | 0.115 |
R-free | 0.15750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gvk |
RMSD bond length | 0.010 |
RMSD bond angle | 1.106 |
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 | 1.420 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.057 | 0.711 |
Number of reflections | 43146 | |
<I/σ(I)> | 25.88 | 2.27 |
Completeness [%] | 97.6 | 99.3 |
Redundancy | 4.7 | 4.7 |
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 |