2PJ6
CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 2-(3-Aminomethyl-phenyl)-3-{hydroxy-[(R)-2-methyl-1-(2-phenyl-ethanesulfonylamino)-propyl]-phosphinoyl}-propionic acid COMPLEX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-08-16 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 77.685, 78.431, 49.558 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.870 - 1.600 |
| R-factor | 0.231 |
| Rwork | 0.229 |
| R-free | 0.26500 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1z5r |
| RMSD bond length | 0.009 |
| 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 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 40559 | |
| <I/σ(I)> | 19.19 | 2.28 |
| Completeness [%] | 99.6 | 99.5 |
| Redundancy | 7.24 | 7.09 |
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 |
