5L3I
Re-refinement of 4dd6; cisplatin coordination chemistry determination at hen egg white lysozyme His15
Replaces: 4DD6Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-11-25 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.54 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 78.016, 78.016, 37.071 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.389 - 1.700 |
R-factor | 0.1825 |
Rwork | 0.181 |
R-free | 0.21210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dd6 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.984 |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 18.390 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.067 | 0.306 |
Number of reflections | 10869 | |
<I/σ(I)> | 35.1 | 8.1 |
Completeness [%] | 83.0 | 100 |
Redundancy | 25 | 18 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 4.7 | 295 | HEWL CO-CRYSTALLIZED WITH CISPLATIN IN 462.5 microL 0.05 M SODIUM ACETATE AND 462.5 microL 10% SODIUM CHLORIDE IN 75 microL DMSO, PH 4.7, BATCH, TEMPERATURE 295K. |