9M5S
Crystal structure of type A chloramphenicol acetyltransferase from Staphylococcus aureus at 1.8 angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2022-05-20 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 103.551, 103.551, 46.249 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.190 - 1.800 |
| R-factor | 0.1513 |
| Rwork | 0.150 |
| R-free | 0.16620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cla |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.967 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 32.190 | 32.190 | 1.840 |
| High resolution limit [Å] | 1.800 | 4.440 | 1.800 |
| Rmerge | 0.045 | 0.039 | 0.220 |
| Number of reflections | 25985 | 1870 | 1345 |
| <I/σ(I)> | 15.4 | ||
| Completeness [%] | 97.3 | 98.9 | 77.2 |
| Redundancy | 6.9 | 7.1 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | CoCl2,CH3COONa,1,6-Hexanediol |
