2PJB
CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 2-(3-Aminomethyl-phenyl)-3-{[1-((S)-2-benzyloxycarbonylamino-3-phenyl-propane-1-sulfonylamino)-2-methyl-propyl]-hydroxy-phosphinoyl}-propionic acid COMPLEX
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-07-02 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.392, 96.152, 135.528 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.660 - 1.700 |
R-factor | 0.175 |
Rwork | 0.174 |
R-free | 0.20000 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1z5r |
RMSD bond length | 0.010 |
RMSD bond angle | 0.800 |
Data reduction software | X-GEN |
Data scaling software | X-GEN |
Phasing software | X-PLOR |
Refinement software | CNX (2005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.800 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 94505 | |
<I/σ(I)> | 12.81 | 2.19 |
Completeness [%] | 98.0 | 89 |
Redundancy | 3.2 | 1.84 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | SODIUM CHLORIDE, TRIS, SODIUM CACODYLATE, PEG 8000, pH 6.50, VAPOR DIFFUSION, HANGING DROP, temperature 298K |