1HXA
CRYSTAL STRUCTURE OF TEAS W273S FORM 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-1 |
Synchrotron site | SSRL |
Beamline | BL9-1 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1999-06-17 |
Detector | MARRESEARCH |
Wavelength(s) | 1.08 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 125.650, 125.650, 119.950 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.320 |
R-factor | 0.225 |
Rwork | 0.225 |
R-free | 0.24600 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5eat |
RMSD bond length | 0.007 |
RMSD bond angle | 1.200 |
Data reduction software | MACSCIENCE |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 88.900 | 2.400 |
High resolution limit [Å] | 2.300 | 2.320 |
Number of reflections | 41329 | |
<I/σ(I)> | 14.3 | 3.9 |
Completeness [%] | 98.1 | 93.2 |
Redundancy | 3.2 |
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, 0.5 MM 1-HYDROXYFARNESYL PHOSPHONATE, pH 6.9 , VAPOR DIFFUSION, HANGING DROP, temperature 277K |