8BQR

Hen Egg-White Lysozyme (HEWL) complexed with biotin-functionalised Anderson-Evans polyoxometalate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00002
Spacegroup name	P 43 21 2
Unit cell lengths	79.394, 79.394, 35.136
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.700 - 2.320
R-factor	0.2524
Rwork	0.251
R-free	0.27780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lyz
RMSD bond angle	2.711
Data reduction software	XDS (VERSION Jan 10, 2022)
Data scaling software	Aimless (7.0.078)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.390	2.420
High resolution limit [Å]	2.320	2.340
Rmerge	0.087	0.684
Rmeas	0.089	0.724
Rpim	0.019	0.232
Total number of observations		4136
Number of reflections	5101	467
<I/σ(I)>	21.4	2.4
Completeness [%]	100.0
Redundancy	19.4	8.9
CC(1/2)	0.999	0.878

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	50 mg/mL Lysozyme, 200 mg/mL AE-Biot, of 0.5 M calcium chloride, 30% (w/v) PEG 4000 and 0.1 M HEPES buffer (pH 8.5).