6QQ3

The room temperature structure of lysozyme via the acoustic levitation of a droplet

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	294
Detector technology	PIXEL
Collection date	2018-12-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	P 43 21 2
Unit cell lengths	79.448, 79.448, 37.882
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.724 - 1.530
R-factor	0.1784
Rwork	0.177
R-free	0.20070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kxo
RMSD bond length	0.009
RMSD bond angle	0.800
Data reduction software	DIALS
Data scaling software	cctbx.prime
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.740	1.560
High resolution limit [Å]	1.530	1.530
Number of reflections	18767	884
<I/σ(I)>	3.52	0.71
Completeness [%]	99.5	95
Redundancy	101.5	8.8
CC(1/2)	0.984	0.665

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.8	291	10 % w/v NaCl, 25 % w/v ethylene glycol, 100 mM Na Acetate pH 4.8