2PDO
Crystal Structure of the Putative Acetyltransferase of GNAT Family from Shigella flexneri
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 | 2004-11-04 |
| Detector | SBC-3 |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.053, 134.388, 70.467 |
| Unit cell angles | 90.00, 105.93, 90.00 |
Refinement procedure
| Resolution | 34.620 - 2.000 |
| R-factor | 0.2 |
| Rwork | 0.193 |
| R-free | 0.26600 |
| Structure solution method | SAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.644 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.2.0000) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.620 | 2.080 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.111 | 0.488 |
| Number of reflections | 72865 | |
| <I/σ(I)> | 8.5 | 2.1 |
| Completeness [%] | 94.9 | 70.3 |
| Redundancy | 6.5 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.4 | 295 | 20% PEG1000, 0.1M Acetate pH 4.5, 0.2M Zn Acetate, pH 5.4, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
