3DDU
Prolyl Oligopeptidase with GSK552
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-12 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.221, 99.883, 111.853 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.920 - 1.560 |
| R-factor | 0.149 |
| Rwork | 0.147 |
| R-free | 0.17200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.298 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.3.0006) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.620 |
| High resolution limit [Å] | 1.560 | 3.360 | 1.560 |
| Rmerge | 0.032 | 0.026 | 0.064 |
| Number of reflections | 113251 | ||
| <I/σ(I)> | 42.6 | ||
| Completeness [%] | 99.3 | 94.1 | 99.4 |
| Redundancy | 7.2 | 6.5 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.6 | 277 | 0 .2M NaoAc 4.6, 9% Peg 4000, VAPOR DIFFUSION, temperature 277K |
