5NJ7

The X-ray structure of the adduct formed in the reaction between bovine pancreatic ribonuclease and arsenoplatin-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-09
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	100.535, 32.855, 72.939
Unit cell angles	90.00, 90.17, 90.00

Refinement procedure

Resolution	72.940 - 2.150
R-factor	0.1904
Rwork	0.187
R-free	0.25049
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jvt
RMSD bond length	0.014
RMSD bond angle	1.709
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.940	2.150
High resolution limit [Å]	2.150
Rmerge	0.117	0.504
Number of reflections	13274
<I/σ(I)>	10	2.9
Completeness [%]	99.7	100
Redundancy	3.4	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.1	298	22% w/v PEG4K, 10 mM sodium acetate pH 5.1. Crystals of RNase A-AP-1 were formed by soaking pre-grown RNase A crystals for 3 h in a solution containing 5 mM AP-1 dissolved in DMSO and then added to the reservoir.