4OWB
Cisplatin binding to HEWL under sodium bromide crystallisation conditions
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR-H |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-11-26 |
Detector | APEX II CCD |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 78.150, 78.150, 37.433 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.990 - 1.690 |
R-factor | 0.2077 |
Rwork | 0.205 |
R-free | 0.26578 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.375 |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.990 | 1.790 |
High resolution limit [Å] | 1.690 | 1.694 |
Rmerge | 0.155 | 0.661 |
Number of reflections | 24594 | |
<I/σ(I)> | 29.7 | 1.5 |
Completeness [%] | 99.8 | 98.7 |
Redundancy | 55.1 | 9.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 4.7 | 295 | 20mg HEWL co-crystallised with 1.2mg cisplatin with 75?l DMSO, 462.5?l 0.1M NaAc and 462.5?l 1M NaBr solution |