4GTY

Crystal structure of mouse Enpp1 in complex with GMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-22
Detector	RAYONIX MX225HE
Wavelength(s)	1.000
Spacegroup name	P 31
Unit cell lengths	104.863, 104.863, 174.831
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.047 - 3.190
R-factor	0.2593
Rwork	0.258
R-free	0.28080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gtw
RMSD bond length	0.006
RMSD bond angle	0.854
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.7.2_869)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.260
High resolution limit [Å]	3.190	8.670	3.200
Rmerge	0.169	0.046	0.521
Number of reflections	35428
<I/σ(I)>	6.9
Completeness [%]	99.0	99.6	98.4
Redundancy	6.5	10.8	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.5	293	PEG 600, MgOAc, NaCl, ZnSO4, pH 4.5, vapor diffusion, temperature 293K