7CDT

Lysozyme room-temperature structure determined by SS-ROX combined with HAG method, 830 kGy (3000 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	78.473, 78.473, 38.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.490 - 1.800
R-factor	0.1923
Rwork	0.191
R-free	0.21900
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4eta
RMSD bond length	0.006
RMSD bond angle	0.776
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]	55.490	1.830
High resolution limit [Å]	1.800	1.800
Number of reflections	11677	567
<I/σ(I)>	5.83
Completeness [%]	100.0
Redundancy	193.3
CC(1/2)	0.979	0.460

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.