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) |