2I9D
chloramphenicol acetyltransferase
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-08-22 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9792896, 0.9794257 |
Spacegroup name | P 61 |
Unit cell lengths | 116.144, 116.144, 130.863 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.440 - 2.300 |
Rwork | 0.188 |
R-free | 0.23000 |
Structure solution method | MAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.485 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MLPHARE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.104 | 0.524 |
Number of reflections | 44581 | |
<I/σ(I)> | 11.6 | |
Completeness [%] | 99.9 | 99.5 |
Redundancy | 14.6 | 12 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 60% v/v tacsimate 0.10 M bis-tris propane, pH 7.0 (Hampton Research SaltRx, reagent number 96, i.e. H12) , pH 7.00, VAPOR DIFFUSION, SITTING DROP, temperature 289K |