1QCX

PECTIN LYASE B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	295
Detector technology	AREA DETECTOR
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	P 21 21 2
Unit cell lengths	83.700, 88.800, 42.284
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	7.000 - 1.700
R-factor	0.162
Rwork	0.162
R-free	0.19800
Structure solution method	MOLECULAR REPLACEMENT AND HEAVY ATOMS
Starting model (for MR)	FOR MOLECULAR REPLACEMENT: PARALLEL BETA HELIX OF PELE ALL AMINO ACIDS REPLACED WITH ALA UNLESS COMMON IN THE TWO PROTEINS; HEAVY ATOMS: PT HG
RMSD bond length	0.010
RMSD bond angle	1.400 *
Data reduction software	SDMS (SOFTWARE PACKAGE)
Data scaling software	SDMS
Phasing software	PHASES
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	100.000
High resolution limit [Å]	1.700
Rmerge	0.054 *
Total number of observations	204035 *
Number of reflections	50124
<I/σ(I)>	18.9
Completeness [%]	73.8
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5 *	4 *	pH 5.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	HEPES	10 (mM)
2	1	drop	protein
3	1	reservoir	citric acid	0.1 (M)
4	1	reservoir	ammonium sulfate	1.6 (M)