2GRX
Crystal structure of TonB in complex with FhuA, E. coli outer membrane receptor for ferrichrome
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-06-29 |
Detector | CUSTOM-MADE |
Wavelength(s) | 0.932 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 234.320, 91.840, 138.510 |
Unit cell angles | 90.00, 118.86, 90.00 |
Refinement procedure
Resolution | 50.000 - 3.300 |
R-factor | 0.299 |
Rwork | 0.284 |
R-free | 0.32900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fcp |
RMSD bond length | 0.019 |
RMSD bond angle | 1.676 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.510 |
High resolution limit [Å] | 3.300 | 3.300 |
Rmerge | 0.084 | 0.566 |
Number of reflections | 38697 | |
<I/σ(I)> | 7.7 | 2.2 |
Completeness [%] | 99.1 | 97.3 |
Redundancy | 4.9 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | 8% polyethylene glycol 4000, 50 mM MES (pH 6.0), 75 mM NaCl, 5% glycerol, 0.7% C8E4, VAPOR DIFFUSION, HANGING DROP, temperature 291K |