6HYB

Zr(IV)-substituted Wells-Dawson binding to Hen Egg-White Lysozyme (HEWL)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9786
Spacegroup name	P 43 21 2
Unit cell lengths	78.610, 78.610, 37.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.155 - 1.964
R-factor	0.1728
Rwork	0.171
R-free	0.20450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 1LYZ
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.160	2.080
High resolution limit [Å]	1.960	1.960
Rmerge	0.106	0.806
Number of reflections	15576
<I/σ(I)>	15.89
Completeness [%]	98.6
Redundancy	13.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	4	289	1.75 mM HEWL, 0.8 mM 1:1 Zr(IV)-Wells-Dawson, 1 M LiCl, 30% PEG 6000, 0.1 M Citric acid pH = 4.0