4KOS
Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with Cefmetazole
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 | 2009-10-15 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 57.812, 76.533, 39.432 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.320 - 1.550 |
| R-factor | 0.15648 |
| Rwork | 0.155 |
| R-free | 0.18184 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2i6c |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.942 |
| 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 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.041 | 0.661 |
| Number of reflections | 25876 | |
| <I/σ(I)> | 31.4 | 2.1 |
| Completeness [%] | 99.2 | 98.9 |
| Redundancy | 4 | 4 |
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 |
