4MXF
X-ray structure of the adduct between bovine pancreatic ribonuclease and Auoxo6, a dinuclear gold(III) complex with -dioxo bridges linking the two metal centers
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-02-05 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 99.595, 31.297, 69.027 |
| Unit cell angles | 90.00, 90.53, 90.00 |
Refinement procedure
| Resolution | 23.000 - 2.250 |
| R-factor | 0.18937 |
| Rwork | 0.185 |
| R-free | 0.26848 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4l55 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.489 |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.000 | 2.270 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Number of reflections | 9860 | |
| Completeness [%] | 94.7 | 94.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 20% PEG4000 and 20 mM sodium citrate buffer pH 5.0. Crystals appeared within 7 days. After two weeks, crystals were soaked in a solution of the gold-based drug dissolved in DMSO and in 50 mM sodium citrate buffer pH 5.0. At the final, concentrations of metallodrugs and protein were in at least 1:1 ratio., VAPOR DIFFUSION, HANGING DROP, temperature 298K |
