3V3N
Crystal structure of TetX2 T280A: an adaptive mutant in complex with minocycline
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 | 68.426, 80.102, 87.362 |
| Unit cell angles | 111.11, 90.10, 93.01 |
Refinement procedure
| Resolution | 49.297 - 2.703 |
| R-factor | 0.2233 |
| Rwork | 0.221 |
| R-free | 0.27570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3p9u |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.235 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.3.0) |
| Refinement software | PHENIX (1.7.2_869) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.770 |
| High resolution limit [Å] | 2.703 | 7.380 | 2.703 |
| Rmerge | 0.074 | 0.048 | 0.317 |
| Number of reflections | 43415 | ||
| <I/σ(I)> | 12.3 | ||
| Completeness [%] | 93.0 | 97.2 | 84.7 |
| Redundancy | 1.7 | 1.9 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.6 | 283.15 | Ammonium Sulafate, pH 8.6, VAPOR DIFFUSION, SITTING DROP, temperature 283.15K |
