3IGJ
Crystal Structure of Maltose O-acetyltransferase Complexed with Acetyl Coenzyme A from Bacillus anthracis
Experimental procedure
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-06-01 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.97923 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 121.966, 121.966, 142.441 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.594 - 2.600 |
R-factor | 0.175 |
Rwork | 0.173 |
R-free | 0.21300 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.437 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.600 | 2.640 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.105 | 0.753 |
Number of reflections | 33541 | |
<I/σ(I)> | 13.6 | 6.6 |
Completeness [%] | 99.7 | 100 |
Redundancy | 18.1 | 18.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 291 | 0.1M Phosphate-citrate, 2M Ammonium sulfate, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 291K |