1NQG
OUTER MEMBRANE COBALAMIN TRANSPORTER (BTUB) FROM E. COLI, WITH BOUND CALCIUM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-08-02 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.255 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 81.632, 81.632, 225.685 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 3.300 * |
| R-factor | 0.236 |
| Rwork | 0.234 |
| R-free | 0.25900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nqf |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.620 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 * | 3.330 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.079 * | 0.220 * |
| Number of reflections | 13146 | |
| <I/σ(I)> | 30.4 | 8.6 |
| Completeness [%] | 95.6 | 95.8 |
| Redundancy | 9.7 | 9.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.6 | 293 | Chimento, D.P., (2003) Acta Crystallogr., Sect.D, 59, 509. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 12 (mg/ml) | |
| 2 | 1 | reservoir | magnesium acetate | 200-400 (mM) | |
| 3 | 1 | reservoir | PEG3350 | 4-7 (%) | |
| 4 | 1 | reservoir | cacodylate | 50 (mM) | pH6.6 |
| 5 | 1 | reservoir | 20 (mM) |
