4DDB
EVAL processed HEWL, cisplatin DMSO paratone pH 6.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-05-09 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 79.641, 79.641, 37.018 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.160 - 3.000 |
| R-factor | 0.21684 |
| Rwork | 0.214 |
| R-free | 0.27950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w1y |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.173 |
| 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] | 30.940 | 2.580 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.136 | 0.528 |
| Number of reflections | 1772 | |
| <I/σ(I)> | 22.6 | 6.1 |
| Completeness [%] | 54.7 | 97.3 |
| Redundancy | 24.6 | 24.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH | 6.5 | 277 | HEWL co-crystallized with cisplatin in 462.5 uL 0.05 M sodium acetate, pH 6.5, 462.5 uL 10% sodium chloride, and 75 uL DMSO, BATCH, temperature 277K |
