6SEU
X-ray structure of the gold/lysozyme adduct formed upon 21h exposure of protein crystals to compound 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-01-14 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 76.953, 76.953, 38.889 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.730 - 1.950 |
| R-factor | 0.1958 |
| Rwork | 0.192 |
| R-free | 0.26030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 193l |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.525 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.730 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.141 | 0.546 |
| Rpim | 0.060 | 0.361 |
| Number of reflections | 8955 | 423 |
| <I/σ(I)> | 13.8 | 1.5 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 13.8 | 3.1 |
| CC(1/2) | 0.805 | 0.951 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 20% ethylene glycol 0.1 M sodium acetate pH 4.5 0.6 M sodium nitrate |
