2DGB
Structure of Thermus thermophilus PurS in the P21 Form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU ULTRAX 18 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-01-31 |
Detector | RIGAKU RAXIS IV++ |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 40.693, 90.125, 51.507 |
Unit cell angles | 90.00, 111.51, 90.00 |
Refinement procedure
Resolution | 42.310 - 2.100 |
R-factor | 0.209 |
Rwork | 0.209 |
R-free | 0.24400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2cuw |
RMSD bond length | 0.005 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.310 | 2.080 |
High resolution limit [Å] | 2.010 | 2.010 |
Rmerge | 0.054 | 0.152 |
Number of reflections | 23059 | |
<I/σ(I)> | 30 | 13.39 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.1 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.7 | 293 | 0.2M potassium nitrate, 20% PEG3350, pH 6.7, VAPOR DIFFUSION, SITTING DROP, temperature 293K |