4OAE
Crystal structure of a GNAT superfamily acetyltransferase PA4794 C29A/C117A/Y128A mutant in complex with chloramphenicol
Experimental 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 | 2012-11-12 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.91837 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 57.880, 75.626, 39.482 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.960 - 1.250 |
R-factor | 0.1221 |
Rwork | 0.120 |
R-free | 0.15476 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kua |
RMSD bond length | 0.018 |
RMSD bond angle | 1.920 |
Data reduction software | DENZO (3000: MOLREP) |
Data scaling software | SCALEPACK (3000: MOLREP) |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.270 |
High resolution limit [Å] | 1.250 | 1.250 |
Rmerge | 0.053 | 0.747 |
Number of reflections | 48658 | |
<I/σ(I)> | 43.7 | 2.4 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.3 | 6.3 |
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 |