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 |