5E5E
X-ray structure of the adduct formed in the reaction between RNase A and a neutral organometallic derivative [Pt(pbi)(Me)(DMSO)], pbi=2-(2'-pyridil)benzimidazole (compound 3)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-03-18 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 100.398, 32.768, 72.540 |
Unit cell angles | 90.00, 89.82, 90.00 |
Refinement procedure
Resolution | 72.500 - 1.980 |
R-factor | 0.1949 |
Rwork | 0.192 |
R-free | 0.25392 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.582 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 72.500 | 2.010 |
High resolution limit [Å] | 1.980 | 1.980 |
Rmerge | 0.087 | 0.408 |
Number of reflections | 16494 | |
<I/σ(I)> | 4.8 | |
Completeness [%] | 98.8 | |
Redundancy | 3.4 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.1 | 298 | RNase A crystals were grown by hanging drop vapor diffusion method using a reservoir solution containing 22-24 % (w/v) PEG4K, 10 mM sodium citrate pH 5.1-5.3. The crystals are monoclinic, space group C2, with two molecules in the asymmetric unit. The adduct was prepared by a three-days soaking in a solution that comprised the standard mother liquor used for the crystal growth to which a 2.5 mM solution of compound 3was added |