4EL7
Initial Thaumatin Structure for Radiation Damage Experiment at 300 K
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 300 |
Detector technology | CCD |
Collection date | 2010-06-22 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | .917 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 58.370, 58.370, 151.270 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.940 - 1.520 |
R-factor | 0.1628 |
Rwork | 0.162 |
R-free | 0.18020 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.080 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | BUSTER (2.8.0) |
Refinement software | BUSTER-TNT |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 99.000 | 99.000 | 1.570 |
High resolution limit [Å] | 1.520 | 3.280 | 1.520 |
Rmerge | 0.082 | 0.055 | 0.331 |
Number of reflections | 35541 | ||
<I/σ(I)> | 6.5 | ||
Completeness [%] | 86.1 | 99.2 | 26.4 |
Redundancy | 6.2 | 6.5 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | sodium potassium tartrate, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |