1JS6

Crystal Structure of DOPA decarboxylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM1A
Synchrotron site	ESRF
Beamline	BM1A
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1993-04-10
Detector	MARRESEARCH
Wavelength(s)	0.8500
Spacegroup name	P 62
Unit cell lengths	152.860, 152.860, 86.600
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.870 - 2.600
R-factor	0.206
Rwork	0.206
R-free	0.25800
RMSD bond length	0.009
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.870	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.086 *	0.341
Number of reflections	31262
<I/σ(I)>	9.1	3.5
Completeness [%]	88.4	67.8
Redundancy	2	0.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	PEG MME 5000, MES, ammonium sulfate at pH 6.5, VAPOR DIFFUSION, HANGING DROP at 298K, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG5000 MME	30 (%(w/v))
2	1	reservoir	MES/KOH	50 (mM)
3	1	reservoir	ammonium sulfate	400 (mM)
4	1	drop	enzyme	30.0 (mg/ml)