1NQH
OUTER MEMBRANE COBALAMIN TRANSPORTER (BTUB) FROM E. COLI, WITH BOUND CALCIUM AND CYANOCOBALAMIN (VITAMIN B12) SUBSTRATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-07-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.6037 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 81.687, 81.687, 225.814 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 3.100 |
| R-factor | 0.2259 |
| Rwork | 0.224 |
| R-free | 0.26000 * |
| Structure solution method | MOLECULAR REPLACEMENT + SAD |
| Starting model (for MR) | 1nqf |
| RMSD bond length | 0.032 |
| RMSD bond angle | 3.130 * |
| Data reduction software | HKL-2000 |
| 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 | 3.210 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.073 * | 0.350 * |
| Number of reflections | 16612 * | |
| <I/σ(I)> | 28.2 | 5.2 |
| Completeness [%] | 100.0 * | 99.7 * |
| Redundancy | 5.8 * | 6.31 |
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) |
