4EKT
Final Thaumatin Structure for Radiation Damage Experiment at 180 K
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 180 |
Detector technology | CCD |
Collection date | 2010-06-22 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.917 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 57.900, 57.900, 150.070 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.660 - 1.750 |
R-factor | 0.1752 |
Rwork | 0.174 |
R-free | 0.20160 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.070 |
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] | 50.000 | 50.000 | 1.810 |
High resolution limit [Å] | 1.750 | 3.770 | 1.750 |
Rmerge | 0.088 | 0.066 | 0.447 |
Number of reflections | 26070 | ||
<I/σ(I)> | 7.4 | ||
Completeness [%] | 97.5 | 94 | 95.3 |
Redundancy | 5.7 | 5.8 | 3.4 |
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 |