2PJ4
CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B [((R)-Benzyloxycarbonylamino-cyclohexyl-methyl)-hydroxy-phosphinoyloxy]-(3-guanidino-phenyl)-acetic 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 | 2001-11-09 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 90.069, 90.069, 173.666 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.920 - 2.000 |
R-factor | 0.217 |
Rwork | 0.215 |
R-free | 0.26500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1z5r |
RMSD bond length | 0.017 |
RMSD bond angle | 0.900 |
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 | 2.120 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 49034 | |
<I/σ(I)> | 9.28 | 2.18 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.66 | 6.83 |
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 |