7Z6D

X-ray structure of the adduct obtained upon reaction of [Rh2(OCOCH3)(OCOCF3)3] with RNase A (1)

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	101.690, 33.120, 73.450
Unit cell angles	90.00, 90.13, 90.00

Refinement procedure

Resolution	50.850 - 1.450
Rwork	0.202
R-free	0.23210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jvt
RMSD bond length	0.013
RMSD bond angle	1.830
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]	50.850	1.480
High resolution limit [Å]	1.450	1.450
Rmerge	0.185	0.796
Rpim	0.135	0.557
Number of reflections	43428	2151
<I/σ(I)>	11.8	3.1
Completeness [%]	99.0	100
Redundancy	5.2	5.6
CC(1/2)	0.998	0.670

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.1	298	0.01 M sodium citrate pH 5.1; 22% PEG 4K