6GOK
X-ray structure of the adduct formed upon reaction of bovine pancreatic ribonuclease with a Pd(II) complex bearing N,N-pyridylbenzimidazole derivative with an alkylated sulphonate side chain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-03-12 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.282, 32.805, 72.661 |
| Unit cell angles | 90.00, 90.61, 90.00 |
Refinement procedure
| Resolution | 72.660 - 2.650 |
| R-factor | 0.19066 |
| Rwork | 0.187 |
| R-free | 0.25476 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fs3 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.637 |
| 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] | 72.660 | 2.700 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.090 | 0.391 |
| Number of reflections | 6649 | 286 |
| <I/σ(I)> | 12.1 | 1.6 |
| Completeness [%] | 91.1 | 79.2 |
| Redundancy | 2.5 | 2.3 |
| CC(1/2) | 0.834 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.1 | 293 | 20% PEG4000 10 mM sodium citrate buffer pH 5.1 |
