5HLL
Re-refinement of 4g4a: room-temperature X-ray diffraction study of cisplatin and its binding to His15 of HEWL after 14 months chemical exposure in the presence of DMSO.
Replaces: 4G4AExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 300 |
Detector technology | CCD |
Collection date | 2012-01-25 |
Detector | APEX II CCD |
Wavelength(s) | 1.54 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 79.144, 79.144, 37.997 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.390 - 1.700 |
R-factor | 0.182 |
Rwork | 0.180 |
R-free | 0.22400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4g4a |
RMSD bond length | 0.013 |
RMSD bond angle | 1.296 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692+SVN) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.390 | 1.728 |
High resolution limit [Å] | 1.699 | 1.699 |
Rmerge | 0.048 | 2.428 |
Number of reflections | 13804 | |
<I/σ(I)> | 9.8 | 0.56 |
Completeness [%] | 99.7 | 93.86 |
Redundancy | 6.7 | 4.5 |
CC(1/2) | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 4.7 | 295 | HEWL CO-CRYSTALLIZED WITH CISPLATIN, WITH 5% DMSO MEDIA IN 1 ML, 10% SODIUM CHLORIDE + 1 ML 0.04 M SODIUM ACETATE, PH 4.7, BATCH, TEMPERATURE 295K |