5UB3

XAC2383 from Xanthomonas citri bound to chloride ion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	93
Detector technology	PIXEL
Collection date	2014-01-02
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	66.544, 66.860, 113.033
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.870 - 1.900
R-factor	0.17945
Rwork	0.177
R-free	0.22607
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.895
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall
Low resolution limit [Å]	29.870
High resolution limit [Å]	1.900
Rmerge	0.068
Number of reflections	39032
<I/σ(I)>	11.74
Completeness [%]	96.4
Redundancy	3.6
CC(1/2)	0.970

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		298	20mM Tris pH 8.0, 300mM NaCl