1IDJ

PECTIN LYASE A

Experimental procedure

Source type	ROTATING ANODE
Source details	OTHER
Temperature [K]	291
Detector technology	AREA DETECTOR
Collection date	1996-02-15
Detector	SIEMENS X1000
Spacegroup name	P 1
Unit cell lengths	47.900, 52.400, 76.300
Unit cell angles	78.60, 90.10, 104.60

Refinement procedure

Resolution	33.300 - 2.400
R-factor	0.16
Rwork	0.160
R-free	0.19800
Structure solution method	MR + SIR + INTERCRYSTAL AVERAGING
Starting model (for MR)	PARTIALLY REFINED MODEL FROM PECTIN LYASE A P212121 (1IDK)
RMSD bond length	0.006
RMSD bond angle	27.330 *
Data reduction software	ROTAVATA
Data scaling software	CCP4 ((AGROVATA)
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.300	2.640
High resolution limit [Å]	2.400	2.400
Rmerge	0.058	0.125 *
Total number of observations	44141 *
Number of reflections	23191
<I/σ(I)>	11.2	3.6
Completeness [%]	84.3	92.2 *
Redundancy	1.9	1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.5 *		Jenkins, J., (1996) Acta Crystallogr.,Sect.D, 52, 402. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20.4 (mg/ml)
2	1	drop	PEG4000	9.3 (%)
3	1	drop	sodium acetate	33 (mM)
4	1	reservoir	PEG4000	28 (%)
5	1	reservoir	sodium acetate	100 (mM)