2QX3

Structure of pectate lyase II from Xanthomonas campestris pv. campestris str. ATCC 33913

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-05-01
Detector	RIGAKU RAXIS HTC
Spacegroup name	P 1
Unit cell lengths	47.183, 53.158, 73.057
Unit cell angles	71.72, 80.03, 69.10

Refinement procedure

Resolution	25.000 - 2.000
R-factor	0.16
Rwork	0.157
R-free	0.21100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1air
RMSD bond length	0.008
RMSD bond angle	1.182
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.070
High resolution limit [Å]	2.000	4.300	2.000
Rmerge	0.058	0.027	0.210
Number of reflections	35612
<I/σ(I)>	20.1
Completeness [%]	83.6	98	37.2
Redundancy	1.9	1.9	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	294	0.1M Hepes, 25% polyethylene glycol 3350, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 294K