4E4R
EutD phosphotransacetylase from Staphylococcus aureus
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 | 2012-03-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 54.595, 54.595, 202.895 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.500 - 1.440 |
| R-factor | 0.1305 |
| Rwork | 0.128 |
| R-free | 0.18010 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.896 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 42.500 | 50.000 | 1.460 |
| High resolution limit [Å] | 1.440 | 3.910 | 1.440 |
| Rmerge | 0.080 | 0.063 | 0.520 |
| Number of reflections | 56944 | ||
| <I/σ(I)> | 14.1 | 2.01 | |
| Completeness [%] | 99.9 | 99.9 | 98.1 |
| Redundancy | 16.1 | 24.4 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.2 M magnesium chloride, 0.1 M HEPES buffer, 25% PEG-3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
