1HX9
CRYSTAL STRUCTURE OF TEAS W273S FORM 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | MACSCIENCE |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-05-13 |
| Detector | MAC Science DIP-2020 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 125.820, 125.820, 122.410 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 3.500 |
| R-factor | 0.206 |
| Rwork | 0.206 |
| R-free | 0.24700 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5eat |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| Data reduction software | MACSCIENCE |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.500 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Number of reflections | 17178 | |
| <I/σ(I)> | 3.6 | 0.84 |
| Completeness [%] | 85.4 | 76.1 |
| Redundancy | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 277 | 15% PEG 8000, 200 MM MG(OAC)2, 100 MM MOPSO, 1MM DTT, 1 MM 1-HYDROXYFARNESYL PHOSPHONATE, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
