1N4A
The Ligand Bound Structure of E.coli BtuF, the Periplasmic Binding Protein for Vitamin B12
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 100 |
Collection date | 2002-11-15 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 131.730, 92.020, 44.690 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.000 |
Rwork | 0.234 |
R-free | 0.26200 * |
Structure solution method | MAD |
RMSD bond length | 0.006 |
RMSD bond angle | 22.500 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | |
High resolution limit [Å] | 2.000 | |
Rmerge | 0.056 * | |
Number of reflections | 34910 | |
Completeness [%] | 98.7 * | 91.9 * |
Redundancy | 4.5 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 294 | NaCl, ethanol, acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 294 | NaCl, ethanol, acetate, 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 | 2.0 (M) | ||
3 | 1 | reservoir | ethanol | 3 (%) | |
4 | 1 | reservoir | sodium acetate | 100 (mM) | pH4.6 |