3RAV
Horse spleen apo-ferritin with bound Pentobarbital
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 110 |
| Wavelength(s) | 0.9774 |
| Spacegroup name | F 4 3 2 |
| Unit cell lengths | 182.480, 182.480, 182.480 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.620 - 1.900 |
| R-factor | 0.176 |
| Rwork | 0.174 |
| R-free | 0.20800 |
| Structure solution method | MR, MR |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.959 |
| Data reduction software | CrystalClear |
| Data scaling software | d*TREK |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.620 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.109 | 0.527 |
| Number of reflections | 21095 | |
| <I/σ(I)> | 20 | 7.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 34.09 | 34.09 |
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 |
