3BRY
Crystal structure of the Ralstonia pickettii toluene transporter TbuX
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-04-22 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9198 |
Spacegroup name | F 2 2 2 |
Unit cell lengths | 125.291, 125.244, 269.511 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 3.200 |
R-factor | 0.268 |
Rwork | 0.268 |
R-free | 0.28000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.800 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.920 | 2.850 |
High resolution limit [Å] | 2.740 | 2.740 |
Rmerge | 0.076 | 0.552 |
Number of reflections | 27405 | |
<I/σ(I)> | 2.1 | |
Completeness [%] | 100.0 | 99.5 |
Redundancy | 3.7 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 295 | 20% PEG 4000, 0.1 M magnesium acetate, 50 mM sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |