3TXD
HEWL co-crystallization with carboplatin in aqueous media with glycerol 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 | 2010-03-02 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 78.870, 78.870, 36.980 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.770 - 1.530 |
| R-factor | 0.20228 |
| Rwork | 0.199 |
| R-free | 0.25826 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w1y |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.735 |
| 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] | 55.770 | 1.590 |
| High resolution limit [Å] | 1.530 | 1.530 |
| Rmerge | 0.076 | 0.327 |
| Number of reflections | 15683 | |
| <I/σ(I)> | 21.1 | 2.1 |
| Completeness [%] | 86.6 | 91.4 |
| Redundancy | 11.98 | 2.51 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH | 4.7 | 295 | 49 mg HEWL + 3.13 mg carboplatin in 1 mL 0.04 M sodium acetate + 1 mL 10% sodium chloride, with glycerol as cryoprotectant, pH 4.7, BATCH, temperature 295K |
