4DD1
EVAL processed HEWL, cisplatin aqueous paratone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-26 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 77.887, 78.703, 37.074 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.040 - 1.700 |
| R-factor | 0.19126 |
| Rwork | 0.189 |
| R-free | 0.22654 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w1y |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.054 |
| 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] | 18.040 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.060 | 0.200 |
| Number of reflections | 23888 | |
| <I/σ(I)> | 16.9 | 5 |
| Completeness [%] | 94.7 | 93.6 |
| Redundancy | 5.4 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.7 | 295 | HEWL co-crystallized with cisplatin in 1 mL 0.05 M sodium acetate buffer and 1 mL 10% sodium chloride aqueous media, pH 4.7, BATCH, temperature 295K |
