9KR0
Structural Basis for the Polymer-Protein Binding Mechanism of Polyvinyl Alcohol Esterase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 90 |
| Detector technology | PIXEL |
| Collection date | 2020-05-15 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 164.000, 164.000, 164.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.660 - 1.800 |
| R-factor | 0.1536 |
| Rwork | 0.153 |
| R-free | 0.15970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.930 |
| Data reduction software | HKL-3000 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.660 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.117 | 0.380 |
| Rpim | 0.052 | |
| Number of reflections | 67659 | 4022 |
| <I/σ(I)> | 28.3 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11.4 | 10.9 |
| CC(1/2) | 0.995 | 0.954 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 3.5 M Sodium formate, 0.1 M BIS-TRIS propane pH 7.0 |
