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 |
