7P8R

X-ray structure of the adduct of a vanadium picolinate complex with RNase A at pH 5.1

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)	0.96
Spacegroup name	C 1 2 1
Unit cell lengths	100.230, 33.020, 72.710
Unit cell angles	90.00, 90.16, 90.00

Refinement procedure

Resolution	72.710 - 1.270
Rwork	0.158
R-free	0.22220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jvt
RMSD bond length	0.017
RMSD bond angle	3.549
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.710	1.290
High resolution limit [Å]	1.268	1.268
Rmerge	0.095	0.664
Rmeas	0.105	0.761
Rpim	0.042	0.365
Number of reflections	58090	2507
<I/σ(I)>	8.6	2.1
Completeness [%]	91.3	79.8
Redundancy	5	4.2
CC(1/2)	0.992	0.828

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.1	293	22% PEG 4K 10 mM sodium citrate pH 5.1