3ODD
Comparison of the character and the speed of X-ray-induced structural changes of porcine pancreatic elastase at two temperatures, 100 and 15K. The data set was collected from region B of the crystal. Second step 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] | 15 |
Detector technology | CCD |
Collection date | 2008-03-20 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97895 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.987, 57.778, 74.585 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 9.822 - 1.100 |
R-factor | 0.1198 |
Rwork | 0.119 |
R-free | 0.13770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gvk |
RMSD bond length | 0.011 |
RMSD bond angle | 1.206 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | AMoRE |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.140 |
High resolution limit [Å] | 1.100 | 2.370 | 1.100 |
Rmerge | 0.056 | 0.046 | 0.190 |
Number of reflections | 80126 | ||
<I/σ(I)> | 19.6 | 20.4 | 7.6 |
Completeness [%] | 90.8 | 43.6 | 92.1 |
Redundancy | 4 | 3.1 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | The initial concentration of the protein was 20 mg/ml in 10% glycerol solution. The reservoir contained a 250 mM Na2SO4, solution at pH 7.5 (adjusted with NaOH). For cryo-protection, the 250 mM Na2SO4 was supplemented with 25% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 291K |