1HXG
CRYSTAL STRUCTURE OF TEAS W273S/C440W
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | MACSCIENCE |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1999-02-05 |
Detector | MAC Science DIP-2020 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 126.121, 126.121, 119.734 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.900 |
R-factor | 0.217 |
Rwork | 0.217 |
R-free | 0.24400 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5eat |
RMSD bond length | 0.008 |
RMSD bond angle | 1.300 |
Data reduction software | MACSCIENCE |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.800 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Number of reflections | 26695 | |
<I/σ(I)> | 4.4 | 1.4 |
Completeness [%] | 98.0 | 94.7 |
Redundancy | 3.5 |
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 |