4FE7

structure of xylose-binding transcription activator xylR

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-08-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95689
Spacegroup name	P 41 21 2
Unit cell lengths	70.071, 70.071, 215.403
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.670 - 2.900
R-factor	0.22204
Rwork	0.219
R-free	0.27916
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.275
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	107.830	107.830	3.060
High resolution limit [Å]	2.900	9.170	2.900
Rmerge	0.079	0.030	0.385
Number of reflections	12704
<I/σ(I)>	29.2	59.2	7.6
Completeness [%]	100.0	99.9	100
Redundancy	8.6	8.7	8.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	1.3 M Li2SO4 100 mM Tris pH=8.50, VAPOR DIFFUSION, HANGING DROP, temperature 293K