3O8Q
1.45 Angstrom Resolution Crystal Structure of Shikimate 5-Dehydrogenase (aroE) from Vibrio cholerae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-23 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.871, 63.146, 136.842 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.320 - 1.450 |
| R-factor | 0.15398 |
| Rwork | 0.152 |
| R-free | 0.19455 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nyt |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.539 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.480 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.058 | 0.549 |
| Number of reflections | 88234 | |
| <I/σ(I)> | 25.7 | 3.2 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 5.8 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | Protein: 6.8 mGr/mL, 0.5 Sodium cloride, 0.01M Tris-HCl pH 8.3, 10 mM Curcumin; Screen: PEGs II (D1), 0.1M Sodium acetate, 0.1M HEPES pH 7.5, 22% (w/v) PEG 4000, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
