4AN1
PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN WITH A COVALENTLY BOUND INHIBITOR IC-4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-03-23 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 70.500, 99.000, 109.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 74.330 - 1.900 |
R-factor | 0.1697 |
Rwork | 0.168 |
R-free | 0.21452 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qfs |
RMSD bond length | 0.016 |
RMSD bond angle | 1.474 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 75.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.090 | 0.560 |
Number of reflections | 56822 | |
<I/σ(I)> | 13.1 | 2 |
Completeness [%] | 93.5 | 95.7 |
Redundancy | 3.5 | 3.6 |
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 |