1N2V
Crystal Structure of TGT in complex with 2-Butyl-5,6-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dione
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-09-28 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 91.060, 64.380, 70.770 |
| Unit cell angles | 90.00, 96.50, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.100 |
| Rwork | 0.188 |
| R-free | 0.23300 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.209 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.095 * | 0.302 * |
| Total number of observations | 87053 * | |
| Number of reflections | 23882 * | |
| <I/σ(I)> | 13.6 | |
| Completeness [%] | 99.8 | 99.4 |
| Redundancy | 3.7 |
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) |
