3IAA
Crystal Structure of CalG2, Calicheamicin Glycosyltransferase, TDP bound form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-04-07 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97957 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 88.787, 48.539, 107.565 |
Unit cell angles | 90.00, 101.79, 90.00 |
Refinement procedure
Resolution | 49.761 - 2.505 |
R-factor | 0.188 |
Rwork | 0.184 |
R-free | 0.23800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.906 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.540 |
High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
Rmerge | 0.162 | 0.054 | 0.493 |
Number of reflections | 30322 | ||
<I/σ(I)> | 5.7 | ||
Completeness [%] | 96.2 | 99.9 | 81.3 |
Redundancy | 6.1 | 6.2 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | Protein Solution (20 mg/ml CalG4 Protein, 0.05 M NaCl, 0.015 M Tris pH 8) mixed in a 1:1 ratio with the Well Solution (0.8M Na3Citrate, 0.1M BisTris pH 6.5) Cryoprotected with 20% ethylene glycol, 0.8M Na3Citrate, 0.1M BisTris pH 6.5, vapor diffusion, hanging drop, temperature 298K |