6PUA
The 2.0 A Crystal Structure of the Type B Chloramphenicol Acetyltransferase from Vibrio cholerae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-02-22 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.97919 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 100.058, 100.058, 128.036 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.420 - 2.000 |
R-factor | 0.164 |
Rwork | 0.163 |
R-free | 0.18820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3eev |
RMSD bond length | 0.007 |
RMSD bond angle | 0.769 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.420 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.065 | 0.969 |
Rpim | 0.025 | 0.415 |
Number of reflections | 50618 | 50618 |
<I/σ(I)> | 37.2 | 2.18 |
Completeness [%] | 99.0 | 100 |
Redundancy | 7.6 | 6.3 |
CC(1/2) | 0.998 | 0.746 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.2 M ammonium phosphate monobasic, 0.1 M Tris pH 8.5, 50 % v/v (+/-) 2-methyl-2,4-pentanedio |