6F3C
The cytotoxic [Pt(H2bapbpy)] platinum complex interacting with the CGTACG hexamer
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97264 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 30.090, 30.090, 116.990 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.000 - 2.300 |
R-factor | 0.261 |
Rwork | 0.257 |
R-free | 0.29230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3np6 |
RMSD bond length | 0.020 |
RMSD bond angle | 1.781 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.000 | 39.000 | 2.430 |
High resolution limit [Å] | 2.290 | 6.790 | 2.290 |
Rmerge | 0.164 | 0.113 | 1.527 |
Rmeas | 0.170 | 0.119 | 1.579 |
Number of reflections | 3083 | 145 | 469 |
<I/σ(I)> | 10.35 | 23.85 | 1.09 |
Completeness [%] | 99.6 | 98 | 98.5 |
Redundancy | 16.101 | 12.034 | 14.985 |
CC(1/2) | 0.993 | 0.989 | 0.326 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 296 | Strontium chloride, Magnesium chloride, Sodium Cacodylate, MPD, spermine chloride |