2BD3
Porcine pancreatic elastase complexed with beta-casomorphin-7 and Lys-Ala-NH2 at pH 5.0
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 127 |
Detector technology | IMAGE PLATE |
Collection date | 2005-06-18 |
Detector | RIGAKU RAXIS IV |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.407, 57.908, 74.725 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.900 - 1.600 |
R-factor | 0.172 |
Rwork | 0.170 |
R-free | 0.20100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3est |
RMSD bond length | 0.015 |
RMSD bond angle | 1.508 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 18.900 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.036 | 0.113 |
Number of reflections | 29238 | |
<I/σ(I)> | 28.7 | 11.8 |
Completeness [%] | 99.0 | 97.7 |
Redundancy | 4.3 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 294 | 25MM SODIUM SULPHATE, 25MM SODIUM ACETATE (PH 5.0), 25 MG/ML PPE AND 17.5 MG/ML BCM7, AND THEN SOAKED WITH Lys-Ala-NH2 (50MG/ML) IN 250MM SODIUM ACETATE (PH 5.0) (5 MICROLITRES) FOR 30 MIN, VAPOR DIFFUSION, HANGING DROP, temperature 294K |