4PF8
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM SULFITOBACTER sp. NAS-14.1 (TARGET EFI-510299) WITH BOUND BETA-D-GALACTURONATE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-04-02 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 |
Unit cell lengths | 57.979, 58.014, 62.968 |
Unit cell angles | 115.62, 104.69, 94.16 |
Refinement procedure
Resolution | 27.923 - 1.500 |
R-factor | 0.1482 |
Rwork | 0.147 |
R-free | 0.16500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ovq |
RMSD bond length | 0.011 |
RMSD bond angle | 1.299 |
Data scaling software | Aimless |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 53.850 | 53.850 | 1.530 |
High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
Rmerge | 0.095 | 0.093 | 0.698 |
Rpim | 0.056 | 0.060 | 0.406 |
Total number of observations | 414615 | 1583 | 20449 |
Number of reflections | 106185 | ||
<I/σ(I)> | 10.9 | 22.8 | 2.3 |
Completeness [%] | 94.8 | 71.2 | 93.6 |
Redundancy | 3.9 | 3.3 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | Protein (31.8 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT, 10 mM D-Galacturonate); Reservoir (2.4 M Sodium Malonate pH 7.0); Cryoprotection (80% Reservoir + 20% Diethylene Glycol |