3KE5
Crystal structure of a PduO-Type ATP:Cob(I)alamin adenosyltransferase from Bacillus cereus in a complex with ATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 6C1 |
| Synchrotron site | PAL/PLS |
| Beamline | 6C1 |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2008-01-29 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.23986 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 64.925, 137.042, 158.263 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.130 - 2.000 |
| Rwork | 0.198 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ah6 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.111 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
| Rmerge | 0.081 | 0.040 | 0.312 |
| Number of reflections | 43832 | ||
| <I/σ(I)> | 7.4 | ||
| Completeness [%] | 91.1 | 97.3 | 65.4 |
| Redundancy | 3.6 | 4.3 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 0.1M MES pH 6.5, 1.57M ammonium sulfate, 9.7%(v/v) dioxane, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
