7VEI

Neutron structure of D2O-solvent lysozyme

Experimental procedure

Experimental method	LAUE
Source type	SPALLATION SOURCE
Source details	J-PARC MLF BEAMLINE BL-03
Synchrotron site	JPARC MLF
Beamline	BL-03
Temperature [K]	298
Detector technology	DIFFRACTOMETER
Collection date	2019-06-02
Detector	iBIX
Wavelength(s)	2.3-6.8
Spacegroup name	P 43 21 2
Unit cell lengths	79.140, 79.140, 37.779
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.700 - 2.000
R-factor	0.1745
Rwork	0.170
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7fcu
RMSD bond length	0.008
RMSD bond angle	1.041
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.700	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.189	0.604
Rpim	0.071	0.284
Number of reflections	11376	1072
<I/σ(I)>	6.53	1.06
Completeness [%]	97.9	95.4
Redundancy	7.3674	4.9338
CC(1/2)	0.982	0.670

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	4.5	293	15-25mg/mL HEWL, 50mM sodium acetate (pH4.5), 0.1g/mL NiCl2