3MWB
The Crystal Structure of Prephenate dehydratase in complex with L-Phe from Arthrobacter aurescens to 2.0A
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 | 2009-11-09 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9794 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 84.120, 107.155, 137.692 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.280 - 2.000 |
| R-factor | 0.212 |
| Rwork | 0.210 |
| R-free | 0.24600 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.201 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
| Rmerge | 0.107 | 0.064 | 0.617 |
| Rmeas | 0.107 | ||
| Total number of observations | 252235 | ||
| Number of reflections | 42250 | ||
| <I/σ(I)> | 7.7 | ||
| Completeness [%] | 99.9 | 99.6 | 100 |
| Redundancy | 6 | 5.7 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 25% PEG 3350, 0.1M Tris pH 8.5, 0.2M Magnesium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
