3TFC
1.95 Angstrom crystal structure of a bifunctional 3-deoxy-7-phosphoheptulonate synthase/chorismate mutase (aroA) from Listeria monocytogenes EGD-e in complex with phosphoenolpyruvate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-28 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 110.161, 110.890, 80.230 |
| Unit cell angles | 90.00, 127.21, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.950 |
| R-factor | 0.17618 |
| Rwork | 0.175 |
| R-free | 0.20466 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.183 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 55411 | |
| Completeness [%] | 98.4 | 85.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | 0.5 M NaCl, 0.01 M TRIS (PH 8.3), 0.002 M PHOSPHOENOLPYRUVATE, QAIGEN PACT C5, 0.1 M PCB BUFFER PH 8, 20% W/V PEG 1500 , VAPOR DIFFUSION, SITTING DROP, temperature 295K |
