9GHX

Lysozyme covalently bound to fac-[Re(CO)3-imidazole] complex, incubated for 112 weeks. Data collection done at mammalian body temperature.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER IMUS DIAMOND MICROFOCUS
Temperature [K]	310.15
Detector technology	PIXEL
Collection date	2024-04-29
Detector	Bruker PHOTON III
Wavelength(s)	1.54
Spacegroup name	P 43 21 2
Unit cell lengths	81.493, 81.493, 37.413
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.440 - 2.190
R-factor	0.2108
Rwork	0.204
R-free	0.27080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.549
Data reduction software	APEX (v2022.8-RC117)
Data scaling software	Aimless (1.20.1-4487)
Phasing software	PHASER (1.20.1-4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.440	2.268
High resolution limit [Å]	2.190	2.190
Rpim	0.134	0.993
Number of reflections	13693	1276
<I/σ(I)>	5.64	0.83
Completeness [%]	99.3	95.49
Redundancy	6.1	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	290.15	HEWL, ReAA, Imidazole, 1.0 M NaCl, and 0.05 M sodium acetate at 4.5 pH.