6ZSQ
Crystal structure of the Cisplatin beta-Lactoglobulin adduct formed after 18 h of soaking
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-03-16 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 |
Unit cell lengths | 37.720, 49.050, 49.310 |
Unit cell angles | 69.96, 68.59, 77.00 |
Refinement procedure
Resolution | 23.228 - 2.004 |
Rwork | 0.183 |
R-free | 0.22410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1beb |
RMSD bond length | 0.008 |
RMSD bond angle | 1.616 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.230 | 2.060 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.060 | 0.152 |
Number of reflections | 17918 | 2486 |
<I/σ(I)> | 8.8 | 3.9 |
Completeness [%] | 86.9 | 92.4 |
Redundancy | 2.3 | 1.9 |
CC(1/2) | 0.958 | 0.939 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 293 | Crystals of beta-Lactoglobulin were grown using 3.0 M (NH4)2SO4, 0.1 M sodium/potassium phosphate buffer pH 6.9 as reservoir. Protein crystallizes at a concentration of 18 mg/mL. Crystals of beta-Lactoglobulin were soaked in a solution consisting of 3.0 M (NH4)2SO4, 0.1 M sodium/potassium phosphate buffer (pH 6.9) with 5 mM CDDP (about 1:3 protein to metal ratio). |