7W7J

Crystal structure of IrCp* immobilized apo-R52H-rHLFr (25 equiv)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-09
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.5418
Spacegroup name	F 4 3 2
Unit cell lengths	181.995, 181.995, 181.995
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.086 - 1.500
Rwork	0.183
R-free	0.21030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dat
RMSD bond length	0.012
RMSD bond angle	1.707
Data reduction software	CrysalisPro
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.086	1.530
High resolution limit [Å]	1.500	1.500
Number of reflections	41390	2000
<I/σ(I)>	12
Completeness [%]	99.3
Redundancy	4.4
CC(1/2)	0.997	0.366

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Ammonium sulfate (0.5-1.0M), Cadmium sulfate(12-20mM)