1S12
Crystal structure of TM1457
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 90 |
Detector technology | CCD |
Collection date | 2002-07-05 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97960 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.890, 63.280, 65.500 |
Unit cell angles | 90.00, 108.01, 90.00 |
Refinement procedure
Resolution | 19.980 - 2.000 |
R-factor | 0.214 |
Rwork | 0.214 |
R-free | 0.27600 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.400 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.400 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 26634 | |
Completeness [%] | 98.1 | 94.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 1.4M NaCitrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |