9RZR

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

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-13
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.729313
Spacegroup name	P 43 21 2
Unit cell lengths	76.583, 76.583, 38.785
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.290 - 1.270
R-factor	0.1407
Rwork	0.140
R-free	0.16330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.091
Data reduction software	XDS (v0.7.16)
Data scaling software	Aimless (v1.12.16)
Phasing software	PHASER (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.780	1.290
High resolution limit [Å]	1.270	1.270
Rmerge	0.085
Rmeas	0.087
Number of reflections	811713	1522
<I/σ(I)>	21.4
Completeness [%]	100.0
Redundancy	26.1
CC(1/2)	1.000	0.952

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	291	1.5M Sodium Malonate