1TQQ
Structure of TolC in complex with hexamminecobalt
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.1 |
| Synchrotron site | SRS |
| Beamline | PX14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-04-22 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.488 |
| Spacegroup name | H 3 |
| Unit cell lengths | 265.276, 265.276, 96.253 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.430 - 2.750 |
| R-factor | 0.2657 |
| Rwork | 0.264 |
| R-free | 0.30473 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ek9 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.874 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.820 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.313 | |
| Number of reflections | 62730 | |
| <I/σ(I)> | 5.1 | 2.1 |
| Completeness [%] | 95.6 | 94.4 |
| Redundancy | 1.8 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 291 | 0.6% detergent mixture of n-dodecyl-beta-D glucopyranoside, n-hexyl-beta-D glucopyranoside, n-heptyl-beta-D glucopyranoside and n-octyl-beta-D glucopyranoside, 1.5% 1,2,3-heptanetriol, 7% polyethylene glycol 2000 monomethyl ether, 10% polyethylene glycol 400, 10mM NaCl, 20mM MgCl2, 20mM Tris, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
