5KDR
The crystal structure of carboxyltransferase from Staphylococcus Aureus bound to the antimicrobial agent moiramide B.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-04-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97918 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 153.807, 49.445, 100.048 |
| Unit cell angles | 90.00, 91.94, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.600 |
| R-factor | 0.23171 |
| Rwork | 0.229 |
| R-free | 0.27586 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2f9i |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.005 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.720 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.460 | |
| Number of reflections | 23238 | |
| <I/σ(I)> | 6.8 | |
| Completeness [%] | 99.1 | 98.5 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | 0.1 M MES, 1.6 M NH4SO4 |
