6QEA
The X-ray structure of the adduct formed in the reaction between hen egg white lysozyme and complex I, a pentacoordinate Pt(II) compound containing 2,9-dimethyl-1,10-phenanthroline, dimethylfumarate, methyl and iodine as ligands
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-01-10 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 78.361, 78.361, 37.353 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.050 - 1.960 |
R-factor | 0.1698 |
Rwork | 0.168 |
R-free | 0.20458 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 193l |
RMSD bond length | 0.009 |
RMSD bond angle | 1.618 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.410 | 1.990 |
High resolution limit [Å] | 1.960 | 1.960 |
Rmerge | 0.099 | 0.597 |
Number of reflections | 8815 | |
<I/σ(I)> | 13.3 | 2.9 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.7 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.4 | 298 | 20% glycol ethylene 0.1 M sodium acetate pH 4.4 0.6 M sodium nitrate |