3TXK
HEWL co-crystallization with cisplatin in DMSO media with paratone as the cryoprotectant at pH 6.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-05-09 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 79.460, 79.460, 36.960 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.510 - 3.000 |
| R-factor | 0.2136 |
| Rwork | 0.211 |
| R-free | 0.25852 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w1y |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.691 |
| 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] | 56.190 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.150 | 0.226 |
| Number of reflections | 2365 | |
| <I/σ(I)> | 5.8 | 3.2 |
| Completeness [%] | 56.9 | 91.3 |
| Redundancy | 3.18 | 3.15 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH | 6.5 | 277 | 20 mg HEWL + 1.1 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 6.5, BATCH, temperature 277K |
