5L4R
X-ray structure of the adduct between thaumatin and cisplatin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-02-03 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 57.837, 57.837, 150.159 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.970 - 1.450 |
| R-factor | 0.11444 |
| Rwork | 0.112 |
| R-free | 0.15369 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qy5 |
| RMSD bond length | 0.037 |
| RMSD bond angle | 2.904 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.980 | 1.480 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.057 | 0.466 |
| Number of reflections | 43868 | |
| <I/σ(I)> | 40 | 1.7 |
| Completeness [%] | 94.8 | 68 |
| Redundancy | 7 | 1.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 20 % PEG3350, 0.2 M sodium tartrate. Crystals of the adduct were obtained by soaking procedure, adding 1 uL of cisplatin solution 10 mM to the drop containing thaumatin crystals |
