3SRT
The crystal structure of a maltose O-acetyltransferase from Clostridium difficile 630
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97931 |
Spacegroup name | P 21 3 |
Unit cell lengths | 152.884, 152.884, 152.884 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.346 - 2.504 |
R-factor | 0.1647 |
Rwork | 0.164 |
R-free | 0.18590 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.131 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | SHELXD |
Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.500 | 2.540 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.098 | 0.757 |
Number of reflections | 41225 | |
<I/σ(I)> | 29 | 2.6 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 7.1 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 286 | 1.8M Ammonium Citrate Tribasic, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 286K |