5BUM

Crystal Structure of LysM domain from Equisetum arvense chitinase A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	95
Detector technology	CCD
Collection date	2014-05-17
Detector	ADSC QUANTUM 270
Wavelength(s)	0.98
Spacegroup name	P 31 2 1
Unit cell lengths	83.219, 83.219, 43.689
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.610 - 2.500
R-factor	0.21883
Rwork	0.216
R-free	0.28319
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pxv
RMSD bond length	0.015
RMSD bond angle	1.767
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.540
High resolution limit [Å]	2.500	2.500
Rmerge		0.073
Number of reflections	6256
<I/σ(I)>	62.1	20.7
Completeness [%]	99.9	100
Redundancy	15	15.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	HEPES, Lithium sulfate