6GOH
X-ray structure of the adduct formed upon reaction of lysozyme with a Pt(II) complex bearing N,N-pyridylbenzimidazole derivative with an alkylated sulphonate side chain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-03-12 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 78.361, 78.361, 36.962 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.410 - 2.430 |
R-factor | 0.20452 |
Rwork | 0.201 |
R-free | 0.27323 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dpx |
RMSD bond length | 0.012 |
RMSD bond angle | 1.820 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.410 | 2.480 |
High resolution limit [Å] | 2.430 | 2.430 |
Rmerge | 0.174 | 0.719 |
Number of reflections | 4616 | 226 |
<I/σ(I)> | 10.4 | 1.3 |
Completeness [%] | 99.1 | 97 |
Redundancy | 6.4 | 4.5 |
CC(1/2) | 0.644 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.4 | 293 | 20% ethylene glycol 0.1 M sodium acetate pH 4.4 0.6 M sodium nitrate |