1H2Y
PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN, Y473F MUTANT WITH COVALENTLY BOUND INHIBITOR Z-PRO-PROLINAL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.2 |
| Synchrotron site | SRS |
| Beamline | PX14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-06-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.800, 99.600, 110.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.000 - 1.780 |
| R-factor | 0.172 |
| Rwork | 0.172 |
| R-free | 0.19400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qfm |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.500 |
| 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] | 33.000 | 1.840 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.065 | 0.482 |
| Total number of observations | 304631 * | |
| Number of reflections | 75584 | |
| <I/σ(I)> | 19.7 | 2.1 |
| Completeness [%] | 99.7 | 99.7 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8.5 | 4 * | Fulop, V., (1998) Cell, 94, 161. * |
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) |
