4EKO
Initial 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 | 57.770, 57.770, 149.940 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.210 - 1.520 |
R-factor | 0.1701 |
Rwork | 0.169 |
R-free | 0.18820 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.100 |
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 | 0.075 | 0.058 | 0.278 |
Number of reflections | 39358 | ||
<I/σ(I)> | 8.8 | ||
Completeness [%] | 98.1 | 94.4 | 96.1 |
Redundancy | 5.7 | 5.9 | 3.5 |
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 |