3EQ9
Prolyl oligopeptidase complexed with R-Pro-(decarboxy-Pro)-Type inhibitors
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 1998-06-11 |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.550, 101.460, 112.330 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.500 - 2.470 |
R-factor | 0.1744 |
Rwork | 0.174 |
R-free | 0.24380 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1qfs |
RMSD bond length | 0.006 |
RMSD bond angle | 1.182 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.500 | 2.600 |
High resolution limit [Å] | 2.470 | 2.470 |
Rmerge | 0.160 | 0.441 |
Number of reflections | 28405 | |
<I/σ(I)> | 4 | |
Completeness [%] | 94.1 | 74.5 |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 17% MPEG 5000, 15% glycerol, 20mM calcium acetate, 0.1M TRIS, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |