9J7H
Crystal structure of 3-deoxy-D-arabino-heptulosonate-7-phosphate synthase (DAHP synthase) from Providencia alcalifaciens complexed with quinic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-11-15 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 122.978, 51.823, 133.303 |
| Unit cell angles | 90.00, 108.93, 90.00 |
Refinement procedure
| Resolution | 25.210 - 2.680 |
| R-factor | 0.2667 |
| Rwork | 0.265 |
| R-free | 0.30539 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kfl |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.549 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.210 | 2.780 |
| High resolution limit [Å] | 2.680 | 2.680 |
| Number of reflections | 43906 | 4373 |
| <I/σ(I)> | 4.5 | 1.2 |
| Completeness [%] | 96.8 | 97.8 |
| Redundancy | 3.5 | |
| CC(1/2) | 0.943 | 0.699 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 25%w/v PEG3350, 0.2M Magnesium chloride, 0.1M bis Tris PH-5.5, 20% ETG |
