4X04
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM CITROBACTER KOSERI (CKO_04899, TARGET EFI-510094) WITH BOUND D-glucuronate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-11-12 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54056 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 175.000, 175.000, 125.640 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.730 - 2.500 |
R-factor | 0.1564 |
Rwork | 0.154 |
R-free | 0.20480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4n8y |
RMSD bond length | 0.008 |
RMSD bond angle | 1.109 |
Data reduction software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.540 |
High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
Rmerge | 0.102 | 0.052 | 0.401 |
Total number of observations | 803840 | ||
Number of reflections | 94018 | ||
<I/σ(I)> | 9.2 | ||
Completeness [%] | 99.8 | 99 | 99.5 |
Redundancy | 11.9 | 13.1 | 9.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | Protein (43.2 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT, 5% Glycerol, 10 mM D-glucuronate); Reservoir (0.2 M Magnesium Chloride, 20 %(w/v) PEG 3350, 0.1M Tris pH 8.5); Cryoprotection (80%(50%) PEG 3350,20% Reservoir) |