9P13

Lysozyme Room-Temperature In-Situ, Grown On-Site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE VMXi
Synchrotron site	Diamond
Beamline	VMXi
Temperature [K]	293
Detector technology	PIXEL
Collection date	2024-10-03
Detector	DECTRIS EIGER2 X 4M
Wavelength(s)	0.7749
Spacegroup name	P 43 21 2
Unit cell lengths	78.678, 78.678, 37.686
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.600 - 1.730
Rwork	0.163
R-free	0.20520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	2.339
Data reduction software	xia2.multiplex
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	55.600	55.630	1.760
High resolution limit [Å]	1.730	8.990	1.730
Rmerge	0.109	0.029	1.336
Rmeas	0.124	0.034	1.673
Rpim	0.057	0.015	0.989
Number of reflections	12826	12826	639
<I/σ(I)>	10.9
Completeness [%]	99.5
Redundancy	7.6	6	4
CC(1/2)	0.998	0.999	0.387

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	295	0.78 M sodium chloride, 0.1 M sodium acetate