1NQF
OUTER MEMBRANE COBALAMIN TRANSPORTER (BTUB) FROM E. COLI, METHIONINE SUBSTIUTION CONSTRUCT FOR SE-MET SAD PHASING
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 | 2002-03-05 |
Detector | SBC-2 |
Wavelength(s) | 0.9790 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 81.614, 81.614, 226.653 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.700 |
R-factor | 0.246 |
Rwork | 0.244 |
R-free | 0.28600 * |
Structure solution method | SAD/DM |
RMSD bond length | 0.018 * |
RMSD bond angle | 2.120 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SnB |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 * | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.091 * | 0.560 * |
Number of reflections | 44020 * | |
<I/σ(I)> | 20.2 | |
Completeness [%] | 96.4 * | 89.3 * |
Redundancy | 6.0 * | 2.7 |
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) |