5UXD
Crystal structure of macrolide 2'-phosphotransferase MphH from Brachybacterium faecium in complex with azithromycin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-10-14 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.050, 81.210, 71.340 |
| Unit cell angles | 90.00, 96.83, 90.00 |
Refinement procedure
| Resolution | 45.345 - 1.700 |
| R-factor | 0.1918 |
| Rwork | 0.191 |
| R-free | 0.23220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5uxc |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.940 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (dev_2733) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.345 | 1.740 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rpim | 0.043 | 0.417 |
| Number of reflections | 67267 | 5045 |
| <I/σ(I)> | 10.4 | 1.6 |
| Completeness [%] | 98.1 | 100 |
| Redundancy | 4.9 | 5 |
| CC(1/2) | 0.998 | 0.706 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 2 M ammonium sulfate, 5 mM azithromycin, 5% DMSO |
