6XN0

Crystal structure of GH43_1 enzyme from Xanthomonas citri

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-09-02
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.459
Spacegroup name	C 2 2 21
Unit cell lengths	64.557, 165.914, 158.709
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.000 - 1.709
R-factor	0.173
Rwork	0.171
R-free	0.20210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mlg
RMSD bond length	0.013
RMSD bond angle	1.458
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.8)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.940	42.000	1.810
High resolution limit [Å]	1.709	5.100	1.710
Rmerge	0.076	0.039	0.987
Rmeas	0.083	0.043	1.119
Number of reflections	90908	3678	13943
<I/σ(I)>	14.04	39.86	1.29
Completeness [%]	98.5	99.2	94.5
Redundancy	6.002	6.375	4.396
CC(1/2)	0.999	0.998	0.751

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	0.2 M ammonium sulfate, 30% (w/v) Polietilenoglicol 8,000, 0,1 M sodium cacodylate pH 6,5 and 10 % glycerol