1Q4W
CRYSTAL STRUCTURE OF TGT IN COMPLEX WITH 2,6-DIAMINO-3H-QUINAZOLIN-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 | 1999-07-28 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 91.350, 65.330, 70.160 |
| Unit cell angles | 90.00, 96.10, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.930 |
| R-factor | 0.171 |
| Rwork | 0.171 |
| R-free | 0.20700 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1pud |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| 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 | 1.970 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Number of reflections | 30993 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | PEG 8000, TRIS, DMSO, DTT, pH 8.50, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
