3ES3
Directing Noble Metal Ion Chemistry within a Designed Ferritin Protein. The Complex with Gold ions. Ferritin H8-H9x Mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.98066 |
Spacegroup name | F 4 3 2 |
Unit cell lengths | 181.564, 181.564, 181.564 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.942 - 2.795 |
R-factor | 0.2237 |
Rwork | 0.222 |
R-free | 0.27510 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2Z6M; one monomer |
RMSD bond length | 0.006 |
RMSD bond angle | 0.918 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.128 | 0.380 |
Number of reflections | 6736 | |
<I/σ(I)> | 14.1 | 3.2 |
Completeness [%] | 98.8 | 98.8 |
Redundancy | 5.1 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | Protein solution (11.0 mG/mL H8 in unbuffered 3.0MM NaN3), 2.5mL of precipitant buffer (0.1 M sodium acetate (PH 4.6), 20%(V/V) isopropanol, 0.2M CaCl2), VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K. Soaking crystals were performed using a mother liquor (no calcium ions) with the addition of 0.5 mM AuCl3 for one week. |