3PGP
Crystal structure of PA4794 - GNAT superfamily protein in complex with AcCoA
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 | 2009-06-13 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 57.673, 76.286, 39.311 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.010 - 1.420 |
| R-factor | 0.17383 |
| Rwork | 0.172 |
| R-free | 0.20219 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2i6c |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.010 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL-3000 (MOLREP) |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.440 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Rmerge | 0.043 | 0.321 |
| Number of reflections | 32584 | |
| <I/σ(I)> | 58.6 | 5.4 |
| Completeness [%] | 97.2 | 100 |
| Redundancy | 6.3 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 1.5 M Ammonium Sulfate, 0.1 M Tris pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |
