8RLG

Perdeuterated hen egg-white lysozyme at room temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	298
Detector technology	PIXEL
Collection date	2020-12-10
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.965
Spacegroup name	P 1
Unit cell lengths	27.150, 31.760, 34.070
Unit cell angles	88.75, 71.71, 67.99

Refinement procedure

Resolution	21.530 - 1.070
Rwork	0.096
R-free	0.12890
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	SHELX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.530	1.110
High resolution limit [Å]	1.070	1.070
Rmerge	0.042	0.225
Rmeas	0.043	0.245
Rpim	0.012	0.090
Number of reflections	43570	4049
<I/σ(I)>	33.4
Completeness [%]	99.2	92.9
Redundancy	12.6	6.7
CC(1/2)	0.999	0.965

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	4.5	291	0.15 M sodium nitrate, 0.05 M sodium acetate pH 4.5