4GCD
Room temperature X-ray diffraction study of a 6-fold molar excess of a cisplatin/carboplatin mixture binding to HEWL, Dataset 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR-H |
Temperature [K] | 300 |
Detector technology | CCD |
Collection date | 2012-05-25 |
Detector | APEX II CCD |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 79.863, 79.863, 37.802 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.740 - 2.800 |
R-factor | 0.17845 |
Rwork | 0.175 |
R-free | 0.24007 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2w1y |
RMSD bond length | 0.011 |
RMSD bond angle | 1.585 |
Data reduction software | APEX |
Phasing software | PHASER (MR) |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.740 | 2.870 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.289 | 0.575 |
Number of reflections | 3141 | |
<I/σ(I)> | 10.8 | 4.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 23.6 | 25.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.7 | 277 | 49 mg HEWL (3.2 mM), 3 mg cisplatin (10 mM), 3.7 mg carboplatin (10 mM) in 0.04 M sodium acetate buffer (462.5 uL) + 10% sodium chloride precipitant (462.5 uL) + 1 mM DMSO (75 uL), pH 4.7, BATCH, temperature 277K |