4PET
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM COLWELLIA PSYCHRERYTHRAEA (CPS_0129, TARGET EFI-510097) WITH BOUND CALCIUM AND PYRUVATE
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 | 2014-04-09 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.827, 70.249, 154.927 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.255 - 1.900 |
R-factor | 0.1563 |
Rwork | 0.154 |
R-free | 0.20720 |
Structure solution method | SAD |
RMSD bond length | 0.014 |
RMSD bond angle | 1.286 |
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] | 77.460 | 77.460 | 1.940 |
High resolution limit [Å] | 1.900 | 9.110 | 1.900 |
Rmerge | 0.098 | 0.060 | 0.926 |
Rpim | 0.027 | 0.017 | 0.299 |
Total number of observations | 667408 | 5692 | 26805 |
Number of reflections | 48462 | ||
<I/σ(I)> | 27.1 | 82 | 2.3 |
Completeness [%] | 99.2 | 95.7 | 90.4 |
Redundancy | 13.8 | 11.3 | 9.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | Protein (74.4 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT, 1 mM D-Glycerate); Reservoir (0.1 M HEPES pH 7.0, 30 %(v/v) Jeffamine ED-2001 pH 7.0); Cryoprotection (80% Reservoir, 20% Ethylene glycol) |