9KR2

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	2020-06-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	I 2 3
Unit cell lengths	164.739, 164.739, 164.739
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.030 - 2.130
R-factor	0.1554
Rwork	0.154
R-free	0.18250
Structure solution method	MOLECULAR REPLACEMENT
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.370	2.190
High resolution limit [Å]	2.130	2.130
Rmerge	0.197	0.618
Rpim		0.286
Number of reflections	41614	3351
<I/σ(I)>	12.9	2.1
Completeness [%]	100.0
Redundancy	10.4
CC(1/2)	0.970	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	291	1.8 M Sodium phosphate monobasic monohydrate, Potassium phosphate dibasic / pH 5.0