4ISX
The crystal structure of maltose o-acetyltransferase from clostridium difficile 630 in complex with acetyl-coa
Replaces: 4EBHExperimental 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 | 2012-03-19 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97921 |
Spacegroup name | F 2 3 |
Unit cell lengths | 167.896, 167.896, 167.896 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.518 - 2.702 |
R-factor | 0.1972 |
Rwork | 0.195 |
R-free | 0.25200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | :3SRT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.715 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.000 | 2.760 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.083 | 0.671 |
Number of reflections | 10868 | |
<I/σ(I)> | 36.9 | 3.3 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.4 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.2M MGCL2, 0.1M MES:NAOH, 10% (W/V)PEG4000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |