4HGR
Crystal structure of E56A/K67A mutant of 2-keto-3-deoxy-D-glycero-D-galactonononate-9-phosphate phosphohydrolase from Bacteroides thetaiotaomicron
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-05 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 72.367, 116.765, 75.180 |
Unit cell angles | 90.00, 93.09, 90.00 |
Refinement procedure
Resolution | 50.715 - 2.050 |
R-factor | 0.1926 |
Rwork | 0.190 |
R-free | 0.24120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3e8m |
RMSD bond length | 0.006 |
RMSD bond angle | 0.922 |
Data reduction software | PROTEUM PLUS (PLUS) |
Data scaling software | PROTEUM PLUS (PLUS) |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.730 | 2.150 |
High resolution limit [Å] | 2.050 | 2.050 |
Number of reflections | 76062 | |
<I/σ(I)> | 14.12 | 3.73 |
Completeness [%] | 97.4 | 92.7 |
Redundancy | 10.66 | 6.78 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 100 mM Hepes, 150 mM magnesium chloride, 25% polyethylene glycol 3350, 3% dioxane. The crystal was dragged through paratone prior to flash-cooling, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |