4NSH
Carboplatin binding to HEWL in 0.2M NH4SO4, 0.1M NaAc in 25% PEG 4000 at pH 4.6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR-H |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-07-29 |
Detector | APEX II CCD |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 77.085, 77.085, 37.143 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.710 - 2.100 |
R-factor | 0.19934 |
Rwork | 0.196 |
R-free | 0.26188 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2w1y |
RMSD bond length | 0.008 |
RMSD bond angle | 1.151 |
Data reduction software | SAINT |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.710 | 2.130 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.126 | 0.499 |
Number of reflections | 6593 | |
<I/σ(I)> | 19.2 | 2.2 |
Completeness [%] | 94.6 | 99.7 |
Redundancy | 20.8 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 20mg of HEWL (0.6mM) was dissolved in 1ml distilled water. 1.4mg of carboplatin (1.8mM) was added with 75 l DMSO. 2 l of this mixed with 2 l resevoir soultion 0.2M NH4SO4, 0.1M NaAc in 25% PEG 4000 at pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |