5OLJ

Crystal structure of Porphyromonas gingivalis dipeptidyl peptidase 4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	Xenocs GeniX 3D Cu HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-07-09
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	109.100, 109.100, 157.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.870 - 2.200
R-factor	0.22502
Rwork	0.224
R-free	0.25451
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kby
RMSD bond length	0.014
RMSD bond angle	1.634
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall
Low resolution limit [Å]	38.000
High resolution limit [Å]	2.200
Number of reflections	48811
<I/σ(I)>	10.8
Completeness [%]	99.7
Redundancy	9.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		290	10% (w/v) PEG 8000, 20% (v/v) ethylene glycol, 0.02 M sodium L-glutamate, 0.02 M DL-alanine, 0.02 M glycine, 0.02 M DL-lysine, 0.02 M DLserine, and 0.1 M BICINE/TRIS pH 8.5