4GCF
Room temperature X-ray diffraction study of a 6-fold molar excess of a cisplatin/carboplatin mixture binding to HEWL, Dataset 4
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 | 79.870, 79.870, 37.768 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.740 - 3.500 |
| R-factor | 0.17244 |
| Rwork | 0.170 |
| R-free | 0.23454 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w1y |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.369 |
| Data reduction software | APEX |
| Phasing software | PHASER (MR) |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.470 | 3.600 |
| High resolution limit [Å] | 3.500 | 3.500 |
| Rmerge | 0.285 | 0.525 |
| Number of reflections | 1655 | |
| <I/σ(I)> | 12.1 | 4.8 |
| Completeness [%] | 100.0 | 97.5 |
| Redundancy | 19.8 | 19.6 |
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 |
