4DDC
EVAL processed HEWL, cisplatin DMSO NAG silicone oil
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-25 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 77.949, 79.089, 36.984 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.170 - 1.800 |
| R-factor | 0.22097 |
| Rwork | 0.219 |
| R-free | 0.25296 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w1y |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.805 |
| 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] | 79.089 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.079 | 0.213 |
| Number of reflections | 21843 | |
| <I/σ(I)> | 22.9 | 4.2 |
| Completeness [%] | 94.6 | 95.2 |
| Redundancy | 15.1 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH | 4.7 | 277 | HEWL co-crystallized with cisplatin and N-acetylglucosamine in 462.5 uL 0.05 M sodium acetate and 462.5 uL 10% sodium chloride in 75 uL DMSO, pH 4.7, BATCH, temperature 277K |
