7CDK

Lysozyme room-temperature structure determined by SS-ROX combined with HAG method, 42 kGy (4500 images from 1st half of data set)

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	78.451, 78.451, 38.533
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.470 - 1.700
R-factor	0.1947
Rwork	0.193
R-free	0.22740
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4eta
RMSD bond length	0.006
RMSD bond angle	0.769
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]	55.470	1.730
High resolution limit [Å]	1.700	1.700
Number of reflections	13786	677
<I/σ(I)>	5.87
Completeness [%]	100.0
Redundancy	181.9
CC(1/2)	0.981	0.526

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.