5N4C
Prolyl oligopeptidase B from Galerina marginata bound to 35mer hydrolysis and macrocyclization substrate - S577A mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-08-01 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.920 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 100.797, 142.562, 116.356 |
| Unit cell angles | 90.00, 90.29, 90.00 |
Refinement procedure
| Resolution | 90.140 - 2.190 |
| R-factor | 0.21562 |
| Rwork | 0.214 |
| R-free | 0.24944 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.423 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 90.140 |
| High resolution limit [Å] | 2.190 |
| Number of reflections | 163136 |
| <I/σ(I)> | 6.7 |
| Completeness [%] | 96.8 |
| Redundancy | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.7 | 293.15 | 28% PEG6000, 100 mM Bicine pH 8.7, 64 mM Sodium Potassium Phosphate, 12.5mM Hexammine cobalt chloride, crystals cryoprotected with 12% glycerol |
