4KUB
Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with CoA
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 | 2011-03-16 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.97907 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 57.359, 76.796, 39.310 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.340 - 1.570 |
R-factor | 0.1445 |
Rwork | 0.143 |
R-free | 0.17837 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.019 |
RMSD bond angle | 2.111 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 (MOLREP) |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.590 |
High resolution limit [Å] | 1.560 | 1.560 |
Rmerge | 0.053 | 0.790 |
Number of reflections | 25056 | |
<I/σ(I)> | 37.1 | 2.2 |
Completeness [%] | 99.8 | 99.6 |
Redundancy | 6.3 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | 2M ammonium sulfate, 0.1M Bis-Tris pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |