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 |