4NSI
Carboplatin binding to HEWL in 20% propanol, 20% PEG 4000 at pH5.6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR-H |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-07-31 |
Detector | APEX II CCD |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 77.713, 77.713, 36.840 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.310 - 2.300 |
R-factor | 0.22352 |
Rwork | 0.220 |
R-free | 0.28489 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2w1y |
RMSD bond length | 0.010 |
RMSD bond angle | 1.373 |
Data reduction software | SAINT |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.310 | 2.650 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.295 | 0.505 |
Number of reflections | 5086 | |
<I/σ(I)> | 7.5 | 1.5 |
Completeness [%] | 53.6 | 100 |
Redundancy | 7.8 | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 20mg of HEWL (0.6mM) was dissolved in 1ml distilled water. 1.4mg of carboplatin (1.8mM) was added along with 75 l DMSO. 2 l of this was mixed with 2 l of resevoir solution 20% PEG 4000 at pH5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |