5D9N

Crystal structure of PbGH5A, a glycoside hydrolase family 5 member from Prevotella bryantii B14, in complex with the xyloglucan heptasaccharide XXXG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-08-07
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	75.560, 84.116, 138.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.866 - 1.860
R-factor	0.1393
Rwork	0.139
R-free	0.16820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vdh
RMSD bond length	0.015
RMSD bond angle	1.370
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]	24.866	1.890
High resolution limit [Å]	1.860	1.860
Rmerge		0.437
Number of reflections	74790
<I/σ(I)>	41.71	5.98
Completeness [%]	99.9	99.9
Redundancy	6.2	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	1.8 microL of protein solution at 28 mg/mL mixed with 1.8 microL of reservoir solution (0.1 M sodium cacodylate pH 6.3 to 7.1, 0.2 M calcium acetate, 25% PEG8K), then soaking in reservoir solution supplemented with 20 mM XXXG. Cryoprotectant = paratone-N oil.