6LFH

X-ray crystal structure of chemically synthesized human lysozyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	LIQUID ANODE
Source details	Excillum MetalJet D2+ 70 kV
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-05
Detector	DECTRIS PILATUS3 R 1M
Wavelength(s)	1.34
Spacegroup name	P 21 21 21
Unit cell lengths	32.950, 56.410, 61.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.610 - 1.460
R-factor	0.1634
Rwork	0.162
R-free	0.19570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nwd
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (v1.17.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.610	30.610	1.500
High resolution limit [Å]	1.460	6.540	1.460
Rmerge	0.045	0.031	0.704
Rmeas	0.047	0.032	0.838
Total number of observations	182201
Number of reflections	19745	262	1051
<I/σ(I)>	31.37	59	2.03
Completeness [%]	96.9	96.3	69.5
Redundancy	9.228	10.21	3.352
CC(1/2)	1.000	0.999	0.724

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	298	Lysozyme sample (14 mg/mL) in 2.5 mM HEPES, 0.12 M lithium chloride mixed with reservoir solution containing 30 mM sodium phosphate, 2.5 M sodium chloride