6SEX
X-ray structure of the gold/lysozyme adduct formed upon 21h exposure of protein crystals to compound 1
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 | 76.735, 76.735, 38.981 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.780 - 1.780 |
| R-factor | 0.1599 |
| Rwork | 0.156 |
| R-free | 0.22360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 193l |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.560 |
| 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] | 34.780 | 1.810 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.121 | 0.483 |
| Rpim | 0.046 | 0.278 |
| Number of reflections | 11577 | 423 |
| <I/σ(I)> | 19.4 | 3.6 |
| Completeness [%] | 99.1 | 99.8 |
| Redundancy | 6.8 | 1.8 |
| CC(1/2) | 0.830 | 0.952 |
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 |
