7DKD

Stenotrophomonas maltophilia DPP7 in complex with Asn-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	PIXEL
Collection date	2019-01-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	P 1 21 1
Unit cell lengths	68.552, 74.892, 154.647
Unit cell angles	90.00, 94.50, 90.00

Refinement procedure

Resolution	40.003 - 1.920
Rwork	0.202
R-free	0.24780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7dkb
RMSD bond length	0.009
RMSD bond angle	1.554
Data reduction software	xia2 (0.5.764)
Data scaling software	DIALS (1.12.2)
Phasing software	REFMAC (5.8.0267)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.480	1.950
High resolution limit [Å]	1.920	1.920
Rmerge	0.186	1.199
Rpim	0.076	0.485
Number of reflections	119220	39675
<I/σ(I)>	7.4	2
Completeness [%]	99.7	94.8
Redundancy	6.9	7
CC(1/2)	0.989	0.632

Crystallization Conditions

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