4ISX
The crystal structure of maltose o-acetyltransferase from clostridium difficile 630 in complex with acetyl-coa
Replaces: 4EBHExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97921 |
| Spacegroup name | F 2 3 |
| Unit cell lengths | 167.896, 167.896, 167.896 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.518 - 2.702 |
| R-factor | 0.1972 |
| Rwork | 0.195 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | :3SRT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.715 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.000 | 2.760 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.083 | 0.671 |
| Number of reflections | 10868 | |
| <I/σ(I)> | 36.9 | 3.3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.4 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.2M MGCL2, 0.1M MES:NAOH, 10% (W/V)PEG4000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
