5D9M
Crystal structure of PbGH5A, a glycoside hydrolase family 5 enzyme from Prevotella bryantii B14, E280A mutant in complex with the xyloglucan tetradecasaccharide XXXGXXXG
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-11-19 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 77.431, 81.677, 108.492 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.463 - 1.900 |
R-factor | 0.1738 |
Rwork | 0.173 |
R-free | 0.20390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vdh |
RMSD bond length | 0.005 |
RMSD bond angle | 0.915 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.960 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.501 | |
Number of reflections | 54672 | |
<I/σ(I)> | 23.51 | 3.88 |
Completeness [%] | 99.2 | 98.3 |
Redundancy | 7.5 | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | protein solution at 28 mg/mL mixed with 2.4 mM ligand incubated at 37 degrees C for 3 h, mixed with reservoir solution (0.2 M magnesium acetate, 20% (w/v) PEG3350). Cryoprotectant = paratone-N oil. |