1N4D
The Ligand-Free Structure of E coli BtuF, the Periplasmic Binding Protein for Vitamin B12
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-10-15 |
| Detector | BRANDEIS - B4 |
| Wavelength(s) | 0.95 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 56.247, 84.082, 209.297 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 3.000 |
| Rwork | 0.242 |
| R-free | 0.29800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 * |
| RMSD bond angle | 24.000 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | COMO |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | |
| High resolution limit [Å] | 3.000 | |
| Rmerge | 0.071 * | |
| Number of reflections | 12293 | |
| Completeness [%] | 99.9 * | 83.8 * |
| Redundancy | 5.6 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 294 | acetate, PEG4000, (NH4)OAc, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mM) | |
| 2 | 1 | reservoir | PEG4000 | 30 (%) | |
| 3 | 1 | reservoir | ammonium sulfate | 200 (mM) | |
| 4 | 1 | reservoir | sodium acetate | 100 (mM) | pH4.6 |
