6DAY

Xanthomonas albilineans Dihydropteroate synthase with 4-aminobenzoic acid at 1.65 A

Replaces:  5UUR

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	2014-10-28
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.4567
Spacegroup name	P 1 21 1
Unit cell lengths	82.589, 75.387, 89.106
Unit cell angles	90.00, 101.10, 90.00

Refinement procedure

Resolution	32.750 - 1.650
R-factor	0.1794
Rwork	0.177
R-free	0.21610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1aj0
RMSD bond length	0.011
RMSD bond angle	1.169
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.750	1.710
High resolution limit [Å]	1.650	1.650
Rmerge	0.023	0.220
Rmeas	0.032	0.312
Rpim	0.023	0.220
Number of reflections	127875	12436
<I/σ(I)>	13.89	2.8
Completeness [%]	99.0	96.89
Redundancy	2	1.9
CC(1/2)	0.999	0.937

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291.15	Polyethylene glycol 3.350, Bis-tris pH 6.5, Lithium sulfate