2I9D
chloramphenicol acetyltransferase
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-08-22 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792896, 0.9794257 |
| Spacegroup name | P 61 |
| Unit cell lengths | 116.144, 116.144, 130.863 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.440 - 2.300 |
| Rwork | 0.188 |
| R-free | 0.23000 |
| Structure solution method | MAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.485 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.104 | 0.524 |
| Number of reflections | 44581 | |
| <I/σ(I)> | 11.6 | |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 14.6 | 12 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 60% v/v tacsimate 0.10 M bis-tris propane, pH 7.0 (Hampton Research SaltRx, reagent number 96, i.e. H12) , pH 7.00, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
