4BCB
PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN WITH A COVALENTLY BOUND P2- substituted N-acyl-prolylpyrrolidine inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-09 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.610, 99.360, 110.470 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.310 - 1.700 |
| R-factor | 0.17126 |
| Rwork | 0.170 |
| R-free | 0.20263 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qfs |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.419 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.000 | 2.000 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.080 | 0.500 |
| Number of reflections | 83611 | |
| <I/σ(I)> | 17.1 | 2 |
| Completeness [%] | 97.2 | 99.7 |
| Redundancy | 4 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 18-20% METHOXY-POLYETHYLENE GLYCOL (MPEG) 5K, 20 MM CA(OAC)2, 0.1 M TRIS PH 8.5, 15% GLYCEROL |
