7Y1X
Crystal structure of prolyl oligopeptidase from Microbulbifer arenaceous complex with PEG400 and MES
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17B1 |
Synchrotron site | SSRF |
Beamline | BL17B1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-06-27 |
Detector | DECTRIS PILATUS3 S 2M |
Wavelength(s) | 0.97944 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.044, 65.065, 91.331 |
Unit cell angles | 90.00, 104.95, 90.00 |
Refinement procedure
Resolution | 31.651 - 1.670 |
Rwork | 0.160 |
R-free | 0.18870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mun |
RMSD bond length | 0.012 |
RMSD bond angle | 2.222 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.700 |
High resolution limit [Å] | 1.670 | 1.670 |
Number of reflections | 75931 | 7149 |
<I/σ(I)> | 15.11 | |
Completeness [%] | 94.4 | |
Redundancy | 6.7 | |
CC(1/2) | 0.998 | 0.899 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 0.04 M MES monohydrate pH 6.0, 8.8% (v/v) polyethylene glycol 400 |