3N0T

Human dipeptidil peptidase DPP7 complexed with inhibitor GSK237826A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-05-05
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	80.546, 130.500, 125.075
Unit cell angles	90.00, 102.28, 90.00

Refinement procedure

Resolution	20.010 - 2.450
R-factor	0.2206
Rwork	0.218
R-free	0.26010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3jyh
RMSD bond length	0.010
RMSD bond angle	1.070
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	122.213	20.000	2.490
High resolution limit [Å]	2.450	6.570	2.450
Rmerge	0.117	0.043	0.793
Number of reflections	92014
<I/σ(I)>	10.4
Completeness [%]	99.5	99.8	99.7
Redundancy	3.3	3.7	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	300	2M AMMONIUM SULFATE, 0.2M SODIUM ACETATE, 0.1M HEPES, 5% MPD, PH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K