1LKA
Porcine Pancreatic Elastase/Ca-Complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X31 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X31 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | MARRESEARCH |
Wavelength(s) | 1.5 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.140, 58.110, 74.280 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.700 |
Rwork | 0.169 |
R-free | 0.21600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qnj |
RMSD bond length | 0.010 |
RMSD bond angle | 2.100 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.000 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.085 | 0.015 |
Total number of observations | 386243 * | |
Number of reflections | 24469 * | |
<I/σ(I)> | 31.8 | 19.9 |
Completeness [%] | 99.7 | 100 |
Redundancy | 15.78 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.1 | 298 * | sodium acetate, sodium citrate, calcium chloride, pH 5.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 12 (mg/ml) | |
2 | 1 | reservoir | sodium acetate | 100 (mM) | pH5.1 |
3 | 1 | reservoir | sodium citrate | 50 (mM) | |
4 | 1 | reservoir | 5 (mM) |