9P12

Lysozyme Room-Temperature In-Situ, Shipped

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	78.668, 78.668, 37.683
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.600 - 1.570
Rwork	0.162
R-free	0.20330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	2.198
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	1.600
High resolution limit [Å]	1.570	8.600	1.570
Rmerge	0.071	0.020	1.153
Rmeas	0.075	0.021	1.436
Rpim	0.023	0.006	0.840
Number of reflections	17048	17048	796
<I/σ(I)>	20.7
Completeness [%]	99.8
Redundancy	15.8	14.9	4
CC(1/2)	1.000	1.000	0.428

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