8S2U

SSX structure of Lysozyme grown in batch conditions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	293
Detector technology	PIXEL
Collection date	2023-01-23
Detector	PSI JUNGFRAU 4M
Wavelength(s)	1.07
Spacegroup name	P 43 21 2
Unit cell lengths	79.000, 79.000, 37.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.924 - 1.800
Rwork	0.171
R-free	0.23070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.551
Data reduction software	CrystFEL (0.10.2)
Data scaling software	CrystFEL (0.10.2)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.000	1.830
High resolution limit [Å]	1.800	1.800
Number of reflections	11636	669
<I/σ(I)>	13.5	0.2
Completeness [%]	100.0	100
Redundancy	438	47.67
CC(1/2)	0.990	0.490

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	3	294	Protein dissolved in 20 mM sodium acetate pH 4.6 Protein and precipitant mixed in a 1:4 ratio Precipitant solution: 6% PEG 6000 (w/v), 3.4M NaCl and 1M sodium acetate pH 3.0