3KE4
Crystal structure of a PduO-Type ATP:Cob(I)alamin adenosyltransferase from Bacillus cereus
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 | 64.927, 137.083, 158.551 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.640 - 1.900 |
| Rwork | 0.182 |
| R-free | 0.20600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ah6 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.047 |
| 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 | 1.970 |
| High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
| Rmerge | 0.040 | 0.024 | 0.176 |
| Number of reflections | 53001 | ||
| <I/σ(I)> | 14.2 | ||
| Completeness [%] | 94.4 | 99.3 | 69 |
| Redundancy | 3.9 | 4.6 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 0.1M MES pH 6.5, 1.52M ammonium sulfate, 9%(v/v) dioxane, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
