1K4H
CRYSTAL STRUCTURE OF TRNA-GUANINE TRANSGLYCOSYLASE (TGT) COMPLEXED WITH 2,6-Diamino-8-propylsulfanylmethyl-3H-quinazoline-4-one
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-03-05 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 90.710, 64.990, 71.070 |
| Unit cell angles | 90.00, 96.44, 90.00 |
Refinement procedure
| Resolution | 40.800 - 1.800 |
| R-factor | 0.196 * |
| Rwork | 0.196 |
| R-free | 0.22900 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1pud |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.278 |
| 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] | 100.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Total number of observations | 351534 * | |
| Number of reflections | 38143 | |
| <I/σ(I)> | 16.26 | 3.96 |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 9.22 |
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 | reservoir | Tris-HCl | 100 (mM) | |
| 2 | 1 | reservoir | PEG8000 | 13 (%) | |
| 3 | 1 | reservoir | dithiothreitol | 1 (mM) | |
| 4 | 1 | reservoir | agarose | 0.2 (%) | |
| 5 | 1 | drop | HEPES | 10 (mM) | pH7.5 |
| 6 | 1 | drop | 2 (M) | ||
| 7 | 1 | drop | dithiothreitol | 1 (mM) | |
| 8 | 1 | drop | protein | 12 (mg/ml) |
