5NJ1
The X-ray structure of the adduct formed in the reaction between hen egg white lysozyme and arsenoplatin-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-10-09 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 79.512, 79.512, 35.906 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.220 - 1.850 |
| R-factor | 0.18535 |
| Rwork | 0.182 |
| R-free | 0.24153 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4j1a |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.957 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.230 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.084 | 0.487 |
| Number of reflections | 10091 | |
| <I/σ(I)> | 24.9 | 2 |
| Completeness [%] | 97.7 | 87.6 |
| Redundancy | 3.2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 20% ethylene glycol, 0.1 M sodium acetate at pH 4.5, 0.6 M sodium nitrate. Crystals of the adduct with AP1 were obtained upon two days soaking of pregrown HEWL crystals in a solution containing 5 mM AP1 dissolved in DMSO and added to the crystal mother liquor. |
