3V3O
Crystal structure of TetX2 T280A: an adaptive mutant in complex with tigecycline
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 | 2011-05-13 |
| Detector | NOIR-1 |
| Wavelength(s) | 1.00004 |
| Spacegroup name | P 1 |
| Unit cell lengths | 68.126, 80.080, 87.238 |
| Unit cell angles | 111.02, 89.97, 92.97 |
Refinement procedure
| Resolution | 48.945 - 2.900 |
| R-factor | 0.2351 |
| Rwork | 0.232 |
| R-free | 0.29750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3p9u |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.543 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.945 | 50.000 | 2.960 |
| High resolution limit [Å] | 2.900 | 7.590 | 2.900 |
| Rmerge | 0.110 | ||
| Number of reflections | 37001 | ||
| <I/σ(I)> | 9.9 | ||
| Completeness [%] | 96.7 | 97.1 | 89.5 |
| Redundancy | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.6 | 283.15 | Ammonium Sulfate, pH 8.6, VAPOR DIFFUSION, SITTING DROP, temperature 283.15K |
