4M3S
Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with HEPES
Replaces: 2I6CExperimental 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 | 2006-02-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97932 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 56.950, 75.513, 39.481 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.830 - 1.300 |
| R-factor | 0.13501 |
| Rwork | 0.133 |
| R-free | 0.16942 |
| Structure solution method | SAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.739 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 (SOLVE/RESOLVE) |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.103 | 0.779 |
| Number of reflections | 42543 | |
| <I/σ(I)> | 37.2 | 2.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 8.8 | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1M NaHepes pH 7.5, 2%PEG400, 2M NH4SO4, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
