3TXH
HEWL co-crystallization with carboplatin in DMSO media with glycerol 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 | 2011-03-07 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 78.847, 78.847, 37.036 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.750 - 1.690 |
| R-factor | 0.16966 |
| Rwork | 0.167 |
| R-free | 0.23277 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w1y |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.040 |
| 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] | 55.750 | 1.790 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Rmerge | 0.018 | 0.156 |
| Number of reflections | 12740 | |
| <I/σ(I)> | 44.48 | 10.7 |
| Completeness [%] | 94.4 | 99.4 |
| Redundancy | 26.69 | 9.88 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH | 4.7 | 295 | 49 mg HEWL + 3.7 mg carboplatin in 462.5 uL 0.04 M sodium acetate + 75 uL DMSO + 462.5 uL 10% sodium chloride, with glycerol as cryoprotectant, pH 4.7, BATCH, temperature 295K |
