5IGW
Macrolide 2'-phosphotransferase type II - complex with GDP and clarithromycin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-11-12 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.173, 81.103, 97.580 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.447 - 2.096 |
R-factor | 0.1731 |
Rwork | 0.167 |
R-free | 0.22900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5igu |
RMSD bond length | 0.007 |
RMSD bond angle | 0.906 |
Data reduction software | XDS |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10pre_2104) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.447 | 50.000 | 2.180 |
High resolution limit [Å] | 2.096 | 4.520 | 2.100 |
Rmerge | 0.061 | 0.041 | 0.180 |
Total number of observations | 109125 | ||
Number of reflections | 18372 | ||
<I/σ(I)> | 12.9 | ||
Completeness [%] | 94.7 | 99.8 | 64.6 |
Redundancy | 5.9 | 6.7 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 295 | 0.1 M calcium acetate, 0.1M Tris, 25-40% PEG 4000 |