1R66
Crystal Structure of DesIV (dTDP-glucose 4,6-dehydratase) from Streptomyces venezuelae with NAD and TYD bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 94 |
| Detector technology | CCD |
| Collection date | 2002-12-04 |
| Detector | SBC-3 |
| Wavelength(s) | 0.97930 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 75.501, 99.799, 42.187 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.440 |
| R-factor | 0.177 * |
| Rwork | 0.176 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bxk |
| RMSD bond length | 0.013 |
| RMSD bond angle | 15.400 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | TNT (5E) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.490 |
| High resolution limit [Å] | 1.440 | 1.440 |
| Rmerge | 0.066 * | 0.212 * |
| Number of reflections | 56518 | 5618 * |
| <I/σ(I)> | 26.4 | 6.8 |
| Completeness [%] | 98.6 | 99.9 |
| Redundancy | 5.5 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 6.5 * | 4 * | PEG 8000, magnesium acetate tetrahydrate, sodium cacodylate, pH 6.3, Batch, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | protein | 10 (mg/ml) | |
| 2 | 1 | 1 | PEG8000 | 20 (%) | |
| 3 | 1 | 1 | magnesium acetate tetrahydrate | 200 (mM) | |
| 4 | 1 | 1 | sodium cacodylate | 100 (mM) | pH6.5 |
| 5 | 1 | 2 | PEG8000 | 7 (%) | |
| 6 | 1 | 2 | magnesium acetate tetrahydrate | 100 (mM) | |
| 7 | 1 | 2 | sodium cacodylate | 100 (mM) | pH6.3 |
