9KR1
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 | 164.873, 164.873, 164.873 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 82.440 - 2.840 |
| R-factor | 0.1739 |
| Rwork | 0.172 |
| R-free | 0.20300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.946 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 82.440 | 2.990 |
| High resolution limit [Å] | 2.840 | 2.840 |
| Rmerge | 0.189 | 0.473 |
| Number of reflections | 17743 | 2573 |
| <I/σ(I)> | 11.1 | 2.5 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 10 | 10.4 |
| CC(1/2) | 0.998 | 0.897 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 3.5 | 291 | 0.1 M Citric acid pH 3.5, 2.0 M Ammonium sulfate |
