7DKC

Stenotrophomonas maltophilia DPP7 in complex with Tyr-Tyr

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	95
Detector technology	CCD
Collection date	2017-04-15
Detector	RAYONIX MX300HE
Wavelength(s)	0.9
Spacegroup name	P 1 21 1
Unit cell lengths	67.850, 74.320, 153.320
Unit cell angles	90.00, 94.15, 90.00

Refinement procedure

Resolution	40.003 - 1.860
Rwork	0.171
R-free	0.21010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7dkb
RMSD bond length	0.011
RMSD bond angle	1.613
Data reduction software	xia2 (0.5.170)
Data scaling software	XDS
Phasing software	REFMAC (5.8.0267)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.040	1.810
High resolution limit [Å]	1.780	1.780
Rmerge	0.072	0.872
Rmeas	0.095
Rpim	0.047	0.629
Number of reflections	143943	6357
<I/σ(I)>	11.5	1.2
Completeness [%]	98.7	87.9
Redundancy	4	2.8
CC(1/2)	0.998	0.445

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.2M Amm Acetate, 20%w/v PEG 8000