3TXG
HEWL co-crystallization with cisplatin in DMSO media with paratone as the cryoprotectant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-25 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 78.081, 78.081, 37.107 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.920 - 1.700 |
| R-factor | 0.18437 |
| Rwork | 0.182 |
| R-free | 0.23922 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w1y |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.911 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (MOLECULAR REPLACEMENT) |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.100 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.023 | 0.173 |
| Number of reflections | 12342 | |
| <I/σ(I)> | 25.66 | 4.02 |
| Completeness [%] | 93.8 | 97.1 |
| Redundancy | 24.27 | 16.21 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH | 4.7 | 295 | 49 mg HEWL + 3 mg cisplatin in 462.5 uL 0.04 M sodium acetate + 75 uL DMSO + 462.5 uL 10% sodium chloride, with paratone as cryoprotectant, pH 4.7, BATCH, temperature 295K |
