3H2I

Crystal structure of N228W mutant of the rice cell wall degrading esterase LipA from Xanthomonas oryzae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Detector technology	IMAGE PLATE
Collection date	2008-08-12
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	97.900, 64.100, 66.400
Unit cell angles	90.00, 93.00, 90.00

Refinement procedure

Resolution	24.610 - 2.100
R-factor	0.201
Rwork	0.201
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h2g
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	25.000
High resolution limit [Å]	2.100
Number of reflections	20344

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.7	298	12% PEG 6000, 0.10M MES, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 298K