5OLD
X-ray structure of the adduct formed upon reaction of ribonuclease A with a tetranuclear Pt-thiosemicarbazone compound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-04-04 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 99.951, 32.584, 72.502 |
Unit cell angles | 90.00, 89.35, 90.00 |
Refinement procedure
Resolution | 72.500 - 1.780 |
R-factor | 0.19827 |
Rwork | 0.196 |
R-free | 0.25043 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jvt |
RMSD bond length | 0.016 |
RMSD bond angle | 2.273 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 72.500 | 1.820 |
High resolution limit [Å] | 1.780 | 1.780 |
Rmerge | 0.071 | 0.766 |
Rpim | 0.047 | 0.750 |
Number of reflections | 62971 | |
<I/σ(I)> | 22.5 | 1.3 |
Completeness [%] | 97.9 | 76 |
Redundancy | 2.8 | 1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 22% PEG4K 0.01 M sodium citrate pH 5.1 |