1QR7
CRYSTAL STRUCTURE OF PHENYLALANINE-REGULATED 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-PHOSPHATE SYNTHASE FROM ESCHERICHIA COLI COMPLEXED WITH PB2+ AND PEP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 150 |
| Detector technology | IMAGE PLATE |
| Detector | FUJI |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 211.731, 51.326, 148.099 |
| Unit cell angles | 90.00, 116.43, 90.00 |
Refinement procedure
| Resolution | 18.000 - 2.600 |
| R-factor | 0.194 * |
| Rwork | 0.194 |
| R-free | 0.25600 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.800 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.063 | 0.118 |
| Number of reflections | 40392 | |
| <I/σ(I)> | 17.3 | |
| Completeness [%] | 91.8 | 64.6 |
| Redundancy | 5.8 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.7 * | 295 | PEG 1000, ethanol, lithium sulphate, bis-tris propane pH 8.8, VAPOR DIFFUSION, HANGING DROP at 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 8.8 (mg/ml) | |
| 10 | 1 | reservoir | BTP | 50 (mM) | |
| 2 | 1 | drop | PEP | 1.63 (mM) | |
| 3 | 1 | drop | 0.4 (mM) | ||
| 4 | 1 | drop | 0.1 (M) | ||
| 5 | 1 | drop | PEG1000 | 12 (%(w/v)) | |
| 6 | 1 | drop | BTP | 50 (mM) | |
| 7 | 1 | reservoir | PEG1000 | 19 (%(w/v)) | |
| 8 | 1 | reservoir | 0.1 (M) | ||
| 9 | 1 | reservoir | ethanol | 20 (%(v/v)) |
