1YR2
Structural and Mechanistic Analysis of Two Prolyl Endopeptidases: Role of Inter-Domain Dynamics in Catalysis and Specificity
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-07-11 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.341, 91.224, 79.787 |
| Unit cell angles | 90.00, 91.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.800 |
| R-factor | 0.16229 |
| Rwork | 0.161 |
| R-free | 0.18614 |
| Structure solution method | MIR |
| Starting model (for MR) | 1h2w |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.561 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 68648 | |
| <I/σ(I)> | 13 | 1.7 |
| Completeness [%] | 98.9 | 92.2 |
| Redundancy | 5.2 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 295 | PEG 8000, Tris, pH 8.6, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K |
