3QH2
Crystal structure of TenI from Bacillus subtilis complexed with product cThz-P
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-07-02 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9777 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 98.047, 105.418, 219.260 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.751 - 2.231 |
R-factor | 0.176 |
Rwork | 0.173 |
R-free | 0.22280 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1yad |
RMSD bond length | 0.011 |
RMSD bond angle | 1.265 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.310 |
High resolution limit [Å] | 2.230 | 4.800 | 2.230 |
Rmerge | 0.096 | 0.035 | 0.451 |
Number of reflections | 55489 | ||
<I/σ(I)> | 9.3 | ||
Completeness [%] | 99.8 | 99.7 | 100 |
Redundancy | 6.1 | 6.3 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.7 | 298 | ammonium sulfate, PEG 400, bicine, cysteine, pH 8.7, vapor diffusion, hanging drop, temperature 298K |