3TXE
HEWL co-crystallization with carboplatin in aqueous media with paratone as the cryoprotectant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-02-17 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 78.506, 78.506, 37.439 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.510 - 1.700 |
| R-factor | 0.20291 |
| Rwork | 0.200 |
| R-free | 0.25855 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w1y |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.677 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | PHASER (MOLECULAR REPLACEMENT) |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.510 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.084 | 0.395 |
| Number of reflections | 12432 | |
| <I/σ(I)> | 14.7 | 4.2 |
| Completeness [%] | 92.9 | 98 |
| Redundancy | 18.99 | 14.01 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH | 4.7 | 295 | 49 mg HEWL + 3.7 mg carboplatin in 1 mL 0.04 M sodium acetate + 1 mL 10% sodium chloride, with paratone as cryoprotectant, pH 4.7, BATCH, temperature 295K |
