4EDZ

Crystal structure of hH-PGDS with water displacing inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Detector technology	CCD
Detector	MAR CCD 165 mm
Wavelength(s)	1.5418
Spacegroup name	I 41
Unit cell lengths	124.468, 124.468, 105.927
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.000
R-factor	0.1919
Rwork	0.190
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.977
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.095	0.069	0.307
Number of reflections	49416
<I/σ(I)>	5.8
Completeness [%]	90.3	84.6	89
Redundancy	2.1	2.5	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION			vapor diffusion