7Z6G

X-ray structure of the adduct obtained upon reaction of [Rh2(OCOCH3)(OCOCF3)3] with RNase A (2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	C 1 2 1
Unit cell lengths	100.570, 32.570, 72.510
Unit cell angles	90.00, 90.46, 90.00

Refinement procedure

Resolution	30.990 - 1.710
Rwork	0.183
R-free	0.23560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jvt
RMSD bond length	0.011
RMSD bond angle	2.220
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.990	1.740
High resolution limit [Å]	1.710	1.710
Rmerge	0.079	0.795
Rpim	0.052	0.521
Number of reflections	25642	1242
<I/σ(I)>	12.5	2.2
Completeness [%]	99.9	100
Redundancy	6.3	6.2
CC(1/2)	0.997	0.782

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.1	298	0.01 M sodium cintrate buffer pH 5.1 22% PEG4K