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 |