1QIX
Porcine pancreatic elastase complexed with human beta-casomorphin-7
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 290 |
Detector technology | IMAGE PLATE |
Collection date | 1995-11-15 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.282, 58.240, 75.437 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.500 - 1.900 |
Rwork | 0.172 |
R-free | 0.21900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3est |
RMSD bond length | 0.014 |
RMSD bond angle | 0.031 |
Data reduction software | MOSFLM (V. 6.0) |
Data scaling software | SCALA |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.500 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.077 | 0.285 |
Number of reflections | 18368 | |
<I/σ(I)> | 19.48 | 4.56 |
Completeness [%] | 99.9 | 99.1 |
Redundancy | 4.1 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 5 | 17 * | drop solution was mixed with an equal volume of reservoir solution * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | sodium acetate | 0.04 (mM) | |
2 | 1 | drop | PPE | 50 (mg/ml) | |
3 | 1 | drop | BCM7 | 50 (mg/ml) | |
4 | 1 | reservoir | ammonium sulfate | 50 (mM) |