5OBC
X-ray structure of the adduct formed upon reaction of ribonuclease A with the compound fac-[RuII(CO)3Cl2(N3-IM), IM=imidazole
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-04-08 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 100.552, 32.698, 74.688 |
Unit cell angles | 90.00, 90.64, 90.00 |
Refinement procedure
Resolution | 74.680 - 2.070 |
R-factor | 0.18592 |
Rwork | 0.181 |
R-free | 0.27221 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1JVT (mol A) |
RMSD bond length | 0.014 |
RMSD bond angle | 1.726 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 74.680 | 2.110 |
High resolution limit [Å] | 2.070 | 2.070 |
Rmerge | 0.085 | 0.548 |
Number of reflections | 14981 | |
<I/σ(I)> | 9.5 | 2.5 |
Completeness [%] | 99.0 | 94.2 |
Redundancy | 3.1 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 18% PEG4K, 10 mM sodium citrate pH 5.1 Soaking: 4 days Ligand concen-tration: 5 mM |