3U80
1.60 Angstrom Resolution Crystal Structure of a 3-Dehydroquinate Dehydratase-like Protein from Bifidobacterium longum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-06 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97850 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.004, 72.684, 81.713 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.940 - 1.600 |
| R-factor | 0.17783 |
| Rwork | 0.176 |
| R-free | 0.20270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dhq |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.329 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.044 | 0.503 |
| Number of reflections | 35461 | |
| <I/σ(I)> | 40.8 | 6.3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.3 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | Protein: 8.4 mg/ml, 0.5 M sodium chloride, 0.01 M Tris-HCl, pH 8.3. Screen Pact B2 (Qiagen), 0.1 M MIB buffer, 25% (w/v) PEG 1500, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
