4M60
Crystal structure of macrolide glycosyltransferases OleD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-07-01 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97939 |
Spacegroup name | H 3 |
Unit cell lengths | 124.134, 124.134, 67.636 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.081 - 1.770 |
R-factor | 0.184 |
Rwork | 0.183 |
R-free | 0.20800 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.159 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX (1.8.2_1309) |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.800 |
High resolution limit [Å] | 1.770 | 4.800 | 1.770 |
Rmerge | 0.082 | 0.058 | |
Number of reflections | 37890 | ||
<I/σ(I)> | 9.7 | ||
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 11.6 | 11.8 | 11 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | Protein Solution (10-15 mg/ml protein, 25mM Tris pH 7.5 and 150mM NaCl) mixed in a 1:1 ratio with the well solution (45% polyacrylate 2100, sodium salt, 0.1M HEPES pH 6.5) Cryoprotected with 45% polyacrylate 2100, sodium salt, VAPOR DIFFUSION, SITTING DROP, temperature 298K |