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 |