7CDN

Lysozyme room-temperature structure determined by SS-ROX combined with HAG method, 42 kGy (9000 images)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	298
Detector technology	PIXEL
Collection date	2019-11-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 43 21 2
Unit cell lengths	78.416, 78.416, 38.648
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.450 - 1.700
R-factor	0.1844
Rwork	0.183
R-free	0.21070
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4eta
RMSD bond length	0.005
RMSD bond angle	0.750
Data reduction software	CrystFEL (0.8.0)
Data scaling software	CrystFEL (0.7.0)
Phasing software	PHENIX (1.17.1_3660)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.450	1.730
High resolution limit [Å]	1.700	1.700
Number of reflections	13805	670
<I/σ(I)>	8.32
Completeness [%]	100.0
Redundancy	370.5
CC(1/2)	0.990	0.707

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		293	The lysozyme solution (40 mg/ml) in 10 mM Na-acetate, pH 4.6 was mixed with the same volume of 4 M Na-Malonate pH 3.1, 6% w/v PEG6000 and stirred for 20 minutes. The crystal growth was stopped by adding 2.4 M Na-Malonate pH 3.1, 3.6 % w/v PEG6000.