5N4E
Prolyl oligopeptidase B from Galerina marginata bound to 35mer hydrolysis and macrocyclization substrate - H698A mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-10-27 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 99.180, 115.000, 141.450 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 89.230 - 2.900 |
| R-factor | 0.25096 |
| Rwork | 0.249 |
| R-free | 0.29547 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.101 |
| Data reduction software | HKL-2000 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 31.990 |
| High resolution limit [Å] | 2.080 |
| Number of reflections | 91770 |
| <I/σ(I)> | 2.81 |
| Completeness [%] | 93.4 |
| Redundancy | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.7 | 293.15 | 27% PEGMME2000, 90 mM Bicine pH 8.7, 100 mM potassium thiocyanate, and 12.5mM Hexammine cobalt chloride. Crystals were cryoprotected with 13% glycerol. |
