2W6L
The crystal structure at 1.7 A resolution of CobE, a protein from the cobalamin (vitamin B12) biosynthetic pathway
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 31.862, 41.070, 87.411 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.690 - 1.890 |
| R-factor | 0.215 |
| Rwork | 0.212 |
| R-free | 0.27100 |
| Structure solution method | MAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.886 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.890 |
| Rmerge | 0.080 | 0.340 |
| Number of reflections | 9752 | |
| <I/σ(I)> | 26.8 | 6.4 |
| Completeness [%] | 98.3 | 73 |
| Redundancy | 7 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.1 MES PH 6.9, 2M AMMONIUM SULPHATE, 5% DIOXANE |
