7PNI

X-ray structure of the adduct formed upon reaction of Pt(II) complex 2c with ribonuclease A

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	2021-03-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.96
Spacegroup name	C 1 2 1
Unit cell lengths	100.140, 31.790, 73.740
Unit cell angles	90.00, 90.35, 90.00

Refinement procedure

Resolution	28.040 - 2.130
Rwork	0.192
R-free	0.27500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jvt
RMSD bond length	0.010
RMSD bond angle	2.195
Data reduction software	MOSFLM
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.040	2.170
High resolution limit [Å]	2.130	2.130
Rmerge	0.078	0.643
Rmeas	0.086	0.721
Rpim	0.034	0.318
Number of reflections	13153	649
<I/σ(I)>	14.5	2.3
Completeness [%]	99.0	97.3
Redundancy	6.2	4.9
CC(1/2)	0.998	0.898

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.1	293	22% PEG4K 10 mM sodium citrate pH 5.1