4XEQ
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM DESULFOVIBRIO VULGARIS (Deval_0042, TARGET EFI-510114) BOUND TO COPURIFIED (R)-PANTOIC ACID
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 | 2014-11-12 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 83.750, 73.600, 100.210 |
Unit cell angles | 90.00, 90.05, 90.00 |
Refinement procedure
Resolution | 25.254 - 1.700 |
R-factor | 0.164 |
Rwork | 0.157 |
R-free | 0.18470 |
Structure solution method | SAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.375 |
Data scaling software | Aimless (0.1.27) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.260 | 25.260 | 1.730 |
High resolution limit [Å] | 1.700 | 9.310 | 1.700 |
Rmerge | 0.112 | 0.072 | 0.708 |
Rpim | 0.044 | 0.029 | 0.287 |
Total number of observations | 945105 | 5141 | 43983 |
Number of reflections | 131847 | ||
<I/σ(I)> | 12.2 | 27.1 | 2.7 |
Completeness [%] | 98.6 | 88.6 | 97.6 |
Redundancy | 7.2 | 6.8 | 6.9 |
CC(1/2) | 0.997 | 0.996 | 0.765 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | Protein (35.6 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT); Reservoir (0.2 M di-Ammonium Citrate pH 5.0 , 20 %(w/v) PEG 3350); Cryoprotection (80% Reservoir + 20% Glycerol) |