1G63

PEPTIDYL-CYSTEINE DECARBOXYLASE EPID

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	90
Detector technology	IMAGE PLATE
Collection date	1998-01-25
Detector	MARRESEARCH
Wavelength(s)	1.09
Spacegroup name	C 1 2 1
Unit cell lengths	164.680, 110.030, 152.870
Unit cell angles	90.00, 90.35, 90.00

Refinement procedure

Resolution	14.990 - 2.500
R-factor	0.23
Rwork	0.230
R-free	0.26300
Structure solution method	MIR
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	MOSFLM
Data scaling software	CCP4 ((AGROVATA)
Phasing software	CCP4
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.560
High resolution limit [Å]	2.500	2.500
Rmerge	0.058	0.248
Total number of observations	213488 *
Number of reflections	81936 *
<I/σ(I)>	10.2	2.8
Completeness [%]	87.1	73.3
Redundancy	2.6	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8 *	18 *	100 mM MES/NaOH 30% MPD , pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	MPD	12 (%)
2	1	reservoir		10 (mM)
3	1	reservoir	Tris-HCl	0.1 (M)