2PO3
Crystal Structure Analysis of DesI in the presence of its TDP-sugar product
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-19 |
| Detector | Bruker Platinum 135 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.500, 66.800, 242.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.840 - 2.100 |
| R-factor | 0.184 |
| Rwork | 0.180 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oga |
| RMSD bond length | 0.011 |
| RMSD bond angle | 2.270 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.080 | 2.080 |
| Rmerge | 0.057 | 0.350 |
| Number of reflections | 56057 | |
| <I/σ(I)> | 16 | 2.4 |
| Completeness [%] | 94.9 | 73.4 |
| Redundancy | 4.4 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Sitting drop (batch) | 8 | 293 | 7 mg/ml DesI, 75 mM NaCl, 150 mM LiCl, 14%PEG 8000, 10 mM dTDP-4-amino-4,6-dideoxy-alpha,D-glucose, 5 mM HEPES, 50 mM HEPPS, pH 8.0, Sitting drop (batch), temperature 293K |
