4G4H
100K X-ray diffraction study of carboplatin binding to HEWL in DMSO media after 13 months of crystal storage
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR-H |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-05-30 |
| Detector | APEX II CCD |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 77.177, 77.177, 36.709 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.573 - 2.000 |
| R-factor | 0.20819 |
| Rwork | 0.205 |
| R-free | 0.26829 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w1y |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.793 |
| Data reduction software | EVAL15 (15) |
| Data scaling software | EVAL15 (15) |
| Phasing software | PHASER (MR) |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.573 | 2.040 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.163 | 0.657 |
| Number of reflections | 7533 | |
| <I/σ(I)> | 18.5 | 4.8 |
| Completeness [%] | 52.0 | 100 |
| Redundancy | 28.6 | 13.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH | 4.7 | 295 | 49 mg HEWL co-crystallized with 3.7 mg carboplatin in 462.5 uL 0.04 M sodium acetate + 462.5 uL 10% sodium chloride + 75 uL DMSO, pH 4.7, BATCH, temperature 295K |
