1QFS
PROLYL OLIGOPEPTIDASE FROM PORCINE MUSCLE WITH COVALENTLY BOUND INHIBITOR Z-PRO-PROLINAL
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1997-12-01 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 70.900, 99.800, 110.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.000 |
R-factor | 0.201 * |
Rwork | 0.201 |
R-free | 0.24300 |
Structure solution method | OTHER |
Starting model (for MR) | 1qfm |
RMSD bond length | 0.010 |
RMSD bond angle | 1.000 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CCP4 |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 * | 2.060 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.073 | 0.449 |
Total number of observations | 135322 * | |
Number of reflections | 51602 | |
<I/σ(I)> | 11.3 | 1.8 |
Completeness [%] | 95.0 | 92 |
Redundancy | 2.6 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 8.5 | 4 * | SEE REFERENCE, pH 8.5 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | mPEG5000 | 17 (%(w/v)) | |
2 | 1 | reservoir | glycerol | 15 (%(v/v)) | |
3 | 1 | reservoir | monothioglycerol | 1 (%(v/v)) | |
4 | 1 | reservoir | 20 (mM) | ||
5 | 1 | reservoir | Tris | 100 (mM) | |
6 | 1 | drop | protein | 10 (mg/ml) |