2BD9
Porcine pancreatic elastase complexed with beta-casomorphin-7 and Arg-Phe at pH 5.0 (50 min soak) and immersed in pH 9 buffer for 28 seconds (2nd pH jump)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 127 |
Detector technology | IMAGE PLATE |
Collection date | 2005-07-03 |
Detector | RIGAKU RAXIS IV |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.380, 57.590, 74.758 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.870 - 1.900 |
R-factor | 0.175 |
Rwork | 0.172 |
R-free | 0.22600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3est |
RMSD bond length | 0.012 |
RMSD bond angle | 1.274 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.870 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.063 | 0.328 |
Number of reflections | 17944 | |
<I/σ(I)> | 16.1 | 3 |
Completeness [%] | 99.4 | 99 |
Redundancy | 3.4 | 3.3 |
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 ARG-PHE (2 MG) IN 250MM SODIUM ACETATE (PH 5.0) (5 MICROLITRES) FOR 50 MIN , VAPOR DIFFUSION, HANGING DROP, temperature 294K |