3EBQ

Crystal structure of human PPPDE1

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	2008-08-10
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54178
Spacegroup name	P 43 21 2
Unit cell lengths	41.625, 41.625, 184.239
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.040 - 1.900
R-factor	0.22585
Rwork	0.224
R-free	0.27273
Structure solution method	SAD
RMSD bond length	0.017
RMSD bond angle	1.630
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.970
High resolution limit [Å]	1.900	1.900
Number of reflections	13493
<I/σ(I)>	45.21	2.57
Completeness [%]	98.4	87.9
Redundancy	11.4	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	10% PEG 4000, 0.1 M SODIUM, ACETATE, 0.1 M TRIS HCL PH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K. CRYSTALS WERE SOAKED OVERNIGHT IN 0.01 M THIMEROSAL TO CREATE THE MERCURY DERIVATIVE.