7QPW

X-ray structure of the adduct obtained upon reaction of [cis-Rh2(OCOCH3)2(OCOCF3)2] with RNase A (1)

This is a non-PDB format compatible entry.

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	100.500, 32.910, 73.060
Unit cell angles	90.00, 90.16, 90.00

Refinement procedure

Resolution	73.060 - 1.150
Rwork	0.136
R-free	0.16540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jvt
RMSD bond length	0.018
RMSD bond angle	3.404
Data reduction software	AutoProcess
Data scaling software	AutoProcess
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.060	1.170
High resolution limit [Å]	1.150	1.150
Rmerge	0.078	0.699
Rpim	0.051	0.479
Number of reflections	84723	4212
<I/σ(I)>	10.3	2.2
Completeness [%]	99.6	100
Redundancy	6.1	5.4
CC(1/2)	0.997	0.738

Crystallization Conditions

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