1FLH

CRYSTAL STRUCTURE OF HUMAN UROPEPSIN AT 2.45 A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE D03B-MX1
Synchrotron site	LNLS
Beamline	D03B-MX1
Detector technology	IMAGE PLATE
Collection date	1998-07-12
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	50.989, 75.557, 89.896
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.000 - 2.450
R-factor	0.161
Rwork	0.161
R-free	0.25100 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1psn
RMSD bond length	0.009
RMSD bond angle	27.040 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	12.000
High resolution limit [Å]	2.450	2.450 *
Rmerge	0.077	0.303 *
Total number of observations	24189 *
Number of reflections	13134
Completeness [%]	98.9	99.1 *
Redundancy	3.26

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7		0.1M HEPES BUFFER (pH 7.0), 2% PEG 400, 2.0M AMMONIUM SULFATE., VAPOR DIFFUSION

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	HEPES	0.1 (M)
2	1	reservoir	PEG400	2 (%)
3	1	reservoir	ammonium sulfate	2.0 (M)