4LUB
X-ray structure of prephenate dehydratase from Streptococcus mutans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 6C1 |
| Synchrotron site | PAL/PLS |
| Beamline | 6C1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-06 |
| Detector | Photonic science VHR CCD |
| Wavelength(s) | 1.2399 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 110.813, 57.963, 85.051 |
| Unit cell angles | 90.00, 125.90, 90.00 |
Refinement procedure
| Resolution | 34.877 - 2.100 |
| R-factor | 0.1915 |
| Rwork | 0.190 |
| R-free | 0.21830 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.266 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXS |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.900 | 2.180 |
| High resolution limit [Å] | 2.097 | 2.100 |
| Rmerge | 0.087 | 0.087 |
| Number of reflections | 25692 | |
| <I/σ(I)> | 14.86 | 14.86 |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293.15 | 15% polyethylene glycol 8000, 100mM magnesium chloride, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K |
