6SET
X-ray structure of the gold/lysozyme adduct formed upon 3 days 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 | 2019-03-06 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 77.448, 77.448, 37.316 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.860 - 1.900 |
R-factor | 0.1609 |
Rwork | 0.158 |
R-free | 0.21490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 193l |
RMSD bond length | 0.008 |
RMSD bond angle | 1.509 |
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] | 30.860 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.011 | 0.652 |
Rpim | 0.044 | 0.360 |
Number of reflections | 8972 | 399 |
<I/σ(I)> | 22.8 | 1.3 |
Completeness [%] | 95.0 | 84.7 |
Redundancy | 7.7 | 4.3 |
CC(1/2) | 0.648 | 0.887 |
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 |