2XAT
COMPLEX OF THE HEXAPEPTIDE XENOBIOTIC ACETYLTRANSFERASE WITH CHLORAMPHENICOL AND DESULFO-COENZYME A
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 295 |
Detector technology | AREA DETECTOR |
Collection date | 1997-08 |
Detector | SIEMENS |
Spacegroup name | P 41 3 2 |
Unit cell lengths | 154.800, 154.800, 154.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 3.200 |
R-factor | 0.213 |
Rwork | 0.213 |
R-free | 0.25500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 26.900 * |
Data reduction software | XENGEN |
Data scaling software | XENGEN |
Phasing software | PHASES |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.000 | 3.300 |
High resolution limit [Å] | 3.200 | 3.200 |
Rmerge | 0.094 | 0.225 |
Total number of observations | 42067 * | |
Number of reflections | 10328 | |
<I/σ(I)> | 10.9 | 4.9 |
Completeness [%] | 94.0 | 82 |
Redundancy | 3.8 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 8.5 | 10-20% POLYETHYLENEGLYCOL MONOMETHYL ETHER 2000, 100 MM TRIS, PH 8.5, 10 MM NICL2, 2 MM CHLORAMPHENICOL, 50 MM DESULFO-COA |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | mPEG2000 | 10-20 (%) | |
2 | 1 | reservoir | Tris-HCl | 100 (mM) | |
3 | 1 | reservoir | 10 (mM) |