9KR3
Structural Basis for the Polymer-Protein Binding Mechanism of Polyvinyl Alcohol Esterase
This is a non-PDB format compatible entry.
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 | 2020-07-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 164.790, 164.790, 164.790 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.570 - 1.780 |
| R-factor | 0.1581 |
| Rwork | 0.157 |
| R-free | 0.17670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | XDS |
| Data scaling software | pointless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.570 | 1.820 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.138 | 1.458 |
| Rpim | 0.050 | 0.531 |
| Number of reflections | 70980 | 4055 |
| <I/σ(I)> | 15 | 2 |
| Completeness [%] | 100.0 | |
| Redundancy | 16.8 | |
| CC(1/2) | 0.998 | 0.734 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 0.1 M BIS-TRIS pH 5.5, 3.0 M Sodium chloride |
