1KFL
Crystal structure of phenylalanine-regulated 3-deoxy-D-arabino-heptulosonate-7-phosphate synthase (DAHP synthase) from E.coli complexed with Mn2+, PEP, and Phe
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2000-08-15 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97165 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 290.097, 90.097, 155.798 |
| Unit cell angles | 90.00, 120.77, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.800 |
| R-factor | 0.219 |
| Rwork | 0.218 |
| R-free | 0.24600 |
| Structure solution method | MAD |
| Starting model (for MR) | 1qr7 |
| RMSD bond length | 0.008 * |
| RMSD bond angle | 1.300 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.076 | 0.313 |
| Number of reflections | 84564 * | |
| <I/σ(I)> | 24 | 5.3 |
| Completeness [%] | 99.4 * | 98.7 |
| Redundancy | 6.8 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.1 | 295 | PEG 4000, lithium sulfate, manganese sulfate, phosphoenolpyruvate, phenylalanine, bis-tris-propane, pH 8.1, VAPOR DIFFUSION, HANGING DROP at 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | DAHPS | 12.0 (mg/ml) | |
| 2 | 1 | drop | Phe | 3.3 (mM) | |
| 3 | 1 | drop | PEP | 3.3 (mM) | |
| 4 | 1 | drop | 1.7 (mM) | ||
| 5 | 1 | drop | 0.1 (M) | ||
| 6 | 1 | reservoir | PEG4000 | 12 (%(w/v)) | |
| 7 | 1 | reservoir | bis-Tris-propane | 50 (mM) | pH8.1 |
