7S31

Crystal structure of hen egg white lysozyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION ENHANCE ULTRA
Temperature [K]	125
Detector technology	CCD
Collection date	2020-12-12
Detector	OXFORD TITAN CCD
Wavelength(s)	1.54056
Spacegroup name	P 43 21 2
Unit cell lengths	78.426, 78.426, 37.111
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	13.560 - 1.600
R-factor	0.206
Rwork	0.204
R-free	0.23650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qwy
RMSD bond length	0.009
RMSD bond angle	1.601
Data reduction software	HKL-2000
Data scaling software	Aimless (0.7.4)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	13.560	13.560	1.630
High resolution limit [Å]	1.600	8.760	1.600
Rmerge	0.079	0.022	1.075
Total number of observations	69039	421	2077
Number of reflections	15516	90	724
<I/σ(I)>	11.1	41	1
Completeness [%]	98.3	73.6	96
Redundancy	4.4	4.7	2.9
CC(1/2)	0.937	1.000	0.544

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	4.6	295	1.2 M NaCl, 100 mM Sodium Acetate, 50 mg/mL Lyzozyme, 30% Glycerol for cryoprotection