3IJW
Crystal structure of BA2930 in complex with CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-11 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.854, 109.957, 133.565 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.600 - 1.900 |
| R-factor | 0.18791 |
| Rwork | 0.186 |
| R-free | 0.23065 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3e4f |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.699 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.600 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.090 | 0.555 |
| Number of reflections | 44002 | |
| <I/σ(I)> | 28.4 | 3.3 |
| Completeness [%] | 99.7 | 99.2 |
| Redundancy | 7.2 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1M HEPES pH 7.5, 0.2M MgCl2, 15% w/v PEG3350, 10 mM butyryl-CoA, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
