9CR5
Crystal structure of GNAT superfamily acetyltransferase PA2271 from Pseudomonas aeruginosa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-03 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.978 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 128.407, 131.110, 44.721 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.240 - 1.560 |
| R-factor | 0.1685 |
| Rwork | 0.167 |
| R-free | 0.20150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.089 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.600 |
| High resolution limit [Å] | 1.560 | 1.570 |
| Rmerge | 0.114 | |
| Rmeas | 0.122 | 0.956 |
| Rpim | 0.041 | 0.349 |
| Number of reflections | 53569 | 2666 |
| <I/σ(I)> | 12.5 | 2.25 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 8.5 | 7.2 |
| CC(1/2) | 0.738 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 289 | 0.2 M calcium chloride, 100 mM Tris pH 8.0, 20% PEG 6000 |
