4RSZ
The X-ray structure of the Primary Adduct formed in the Reaction between Cisplatin and Cytochrome c
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR571 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-07-21 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 3 |
Unit cell lengths | 120.344, 120.344, 36.673 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 104.220 - 2.190 |
R-factor | 0.23403 |
Rwork | 0.231 |
R-free | 0.28211 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB code 1HRC |
RMSD bond length | 0.015 |
RMSD bond angle | 1.845 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 104.220 |
High resolution limit [Å] | 2.190 |
Rmerge | 0.109 |
Number of reflections | 30538 |
Completeness [%] | 99.8 |
Redundancy | 10.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 300 | A new crystal form of horse heart cytochrome c that co-crystallized with nitrate and sulphate ions has been obtained. Crystallization was prepared by using the hanging-drop vapour diffusion method in Linbro plates and a reservoir contained 3.5 M ammonium sulphate, 0.6 M sodium nitrate. The droplets consisted of 1 microliter protein (30 mg/mL in water) and 1 microliter of reservoir. They were equilibrated against a 500 microliters reservoir solution at 20 C. These conditions produced well shaped red crystals after 1 month. These crystals have been soaked for 24 h in a solution consisting of 0.005 M cisplatin in 2.0 M ammonium sulphate and 0.4 M sodium nitrate. To prepare this solution, Cisplatin was first dissolved in 5 mM sodium acetate buffer at pH 5.0. , VAPOR DIFFUSION, HANGING DROP, temperature 300K |