4EA9
X-ray structure of GDP-perosamine N-acetyltransferase in complex with transition state analog at 0.9 Angstrom resolution
Experimental 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 | 2009-11-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.667 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 114.818, 114.818, 114.818 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 0.900 |
| R-factor | 0.139 |
| Rwork | 0.138 |
| R-free | 0.15500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ea7 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 0.920 |
| High resolution limit [Å] | 0.900 | 0.900 |
| Rmerge | 0.072 | 0.360 |
| Number of reflections | 181485 | |
| <I/σ(I)> | 50.6 | 2.4 |
| Completeness [%] | 98.6 | 95.9 |
| Redundancy | 8.1 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 25-30% PEG5000 MME, 100 mM HEPES, pH 7.5, 10 mM CoA, 10 mM GDP-perosamine, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
