5HOQ
Apo structure of CalS11, TDP-rhamnose 3'-o-methyltransferase, an enzyme in Calicheamicin biosynthesis
Replaces: 4PWRExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-02-02 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97857 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 148.262, 125.142, 107.152 |
Unit cell angles | 90.00, 125.12, 90.00 |
Refinement procedure
Resolution | 47.888 - 1.793 |
R-factor | 0.1477 |
Rwork | 0.146 |
R-free | 0.17930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4gf5 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.006 |
Data reduction software | XDS (20151015) |
Data scaling software | XDS (20151015) |
Phasing software | PHENIX (1.10_2155) |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.888 | 1.860 |
High resolution limit [Å] | 1.793 | 1.793 |
Rmerge | 0.132 | 1.234 |
Number of reflections | 147725 | |
<I/σ(I)> | 10.25 | 1.39 |
Completeness [%] | 99.0 | 90 |
Redundancy | 7.4 | 6.8 |
CC(1/2) | 0.997 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 1:1 ratio mixture of 16mg/ml protein and reservoir solution (21% PEG3350, 0.1M LiSO4, 0.1M HEPES pH 7.5), VAPOR DIFFUSION, HANGING DROP, temperature 293K |