3P9U
Crystal structure of TetX2 from Bacteroides thetaiotaomicron with substrate analogue
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-02 |
| Detector | NOIR-1 |
| Wavelength(s) | 0.97889 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 87.700, 67.330, 153.790 |
| Unit cell angles | 90.00, 100.31, 90.00 |
Refinement procedure
| Resolution | 48.450 - 2.810 |
| R-factor | 0.2405 |
| Rwork | 0.238 |
| R-free | 0.28170 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.247 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 7.590 | 2.800 |
| Rmerge | 0.118 | 0.059 | 0.286 |
| Number of reflections | 39866 | ||
| <I/σ(I)> | 9.1 | ||
| Completeness [%] | 92.0 | 99.7 | 86.7 |
| Redundancy | 3.3 | 3.6 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.6 | 283.15 | 2.3M Ammonium Sulfate, 0.1M potassium formate, 0.1M Ches, pH 8.6, VAPOR DIFFUSION, SITTING DROP, temperature 283.15K |
