3RD0
Horse spleen apo-ferritin with bound thiopental
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 110 |
Wavelength(s) | 1.5498 |
Spacegroup name | F 4 3 2 |
Unit cell lengths | 182.175, 182.175, 182.175 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.790 - 2.000 |
R-factor | 0.185 |
Rwork | 0.184 |
R-free | 0.20500 |
Structure solution method | MR, MR |
Starting model (for MR) | 3F32 without sidechains |
RMSD bond length | 0.007 |
RMSD bond angle | 0.907 |
Data reduction software | CrystalClear |
Data scaling software | CrystalClear |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.790 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.083 | 0.538 |
Number of reflections | 33745 | |
<I/σ(I)> | 18.2 | 2.6 |
Completeness [%] | 99.7 | 97.3 |
Redundancy | 21.27 | 9.33 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 0.2-1.6 M (NH4)2SO4 and 0.1-0.275 M CdSO4, 0.5 mM thiopental were mixed with equal volumes of apoferritin solution and equilibrated over 0.7-1 ml, vapor diffusion, hanging drop, temperature 291K |