1I7O

CRYSTAL STRUCTURE OF HPCE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Detector technology	IMAGE PLATE
Collection date	1999-04-04
Detector	MARRESEARCH
Wavelength(s)	0.87
Spacegroup name	P 21 21 21
Unit cell lengths	126.084, 138.201, 103.973
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	91.200 * - 1.700
R-factor	0.2527
Rwork	0.251
R-free	0.25200 *
Structure solution method	MIR
RMSD bond length	0.019
RMSD bond angle	1.851 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.200 *	1.750
High resolution limit [Å]	1.700	1.700
Rmerge	0.055	0.546
Number of reflections	196319
<I/σ(I)>	18.6	2.2
Completeness [%]	98.5 *	98.3 *
Redundancy	3.4	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	20 *	drop contains protein and reservoir solution in a 1:1 ratio *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	reservoir	mPEG2000	15 (%)
3	1	reservoir		200 (mM)
4	1	reservoir	Tris-HCl	50 (mM)