9GI7

Hen Egg-White Lysozyme (HEWL) complexed with a Lindqvist-type hexavanadate (V6-OH) polyoxometalate

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-11
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1
Spacegroup name	P 43 21 2
Unit cell lengths	76.723, 76.723, 35.954
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.360 - 1.760
R-factor	0.1788
Rwork	0.177
R-free	0.21790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.014
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]	38.360	1.790
High resolution limit [Å]	1.760	1.760
Rmerge	0.061	0.797
Rmeas	0.063	0.814
Rpim	0.012	0.162
Total number of observations		15293
Number of reflections	20324	617
<I/σ(I)>	36.8	4.9
Completeness [%]	100.0
Redundancy	25.2	24.8
CC(1/2)	1.000	0.953

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	1.0 M Lithium Chloride, 0.1 M Tris, 20% (w/v) PEG 6000,