1F3E
A NEW TARGET FOR SHIGELLOSIS: RATIONAL DESIGN AND CRYSTALLOGRAPHIC STUDIES OF INHIBITORS OF TRNA-GUANINE TRANSGLYCOSYLASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-09-01 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 90.670, 64.940, 71.050 |
| Unit cell angles | 90.00, 96.61, 90.00 |
Refinement procedure
| Resolution | 35.500 - 1.850 |
| R-factor | 0.195 * |
| Rwork | 0.195 |
| R-free | 0.23800 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.431 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.500 | 35.500 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.060 * | 0.336 * |
| Total number of observations | 322171 * | |
| Number of reflections | 35090 * | |
| Completeness [%] | 96.3 * | 93.4 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 25 * | Romier, C., (1996) Proteins Struct. Funct. Genet., 24, 516. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | HEPES | 10 (mM) | |
| 2 | 1 | drop | 2 (M) | ||
| 3 | 1 | drop | dithiothreitol | 1 (mM) | |
| 4 | 1 | drop | protein | 12 (mg/ml) | |
| 5 | 1 | reservoir | Tris-HCl | 100 (mM) | |
| 6 | 1 | reservoir | PEG8000 | 13 (%) | |
| 7 | 1 | reservoir | dithiothreitol | 1 (mM) |
