9KQZ
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 | 2020-06-28 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 164.686, 164.686, 164.686 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.680 - 1.920 |
| R-factor | 0.1436 |
| Rwork | 0.142 |
| R-free | 0.16270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.791 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.17.1_3660)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.760 | 1.990 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.167 | 0.770 |
| Rpim | 0.027 | 0.165 |
| Number of reflections | 56919 | 5540 |
| <I/σ(I)> | 19 | |
| Completeness [%] | 99.8 | 97.28 |
| Redundancy | 38.1 | 20.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 291 | 0.1 M Sodium acetate trihydrate pH 4.5, 2.0 M Ammonium sulfate |
