1Q23
Crystal structure of Chloramphenicol acetyltransferase I complexed with Fusidic acid at 2.18 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-09-28 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.811 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 115.354, 129.198, 118.073 |
| Unit cell angles | 90.00, 108.30, 90.00 |
Refinement procedure
| Resolution | 111.800 - 2.180 |
| R-factor | 0.19512 |
| Rwork | 0.192 |
| R-free | 0.26324 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Isomorphous structure of the apoenzyme form of CAT I pdbID 1PD5 |
| RMSD bond length | 0.036 |
| RMSD bond angle | 2.963 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 6.700 | 2.230 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Rmerge | 0.059 | 0.286 |
| Number of reflections | 182115 | |
| <I/σ(I)> | 9.8 | 3.6 |
| Completeness [%] | 97.9 | 99.4 |
| Redundancy | 3.5 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 290 | methanol,calcium chloride,mes,sodium fusidate, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 290.0K |
