4GLQ

Crystal Structure of the blue-light absorbing form of the Thermosynechococcus elongatus PixJ GAF-domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2012-01-01
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97895
Spacegroup name	P 41 21 2
Unit cell lengths	47.040, 47.040, 125.966
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.068 - 1.772
R-factor	0.159
Rwork	0.155
R-free	0.19960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SyB Cph1-GAF domain
RMSD bond length	0.007
RMSD bond angle	1.264
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.0)
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.800
High resolution limit [Å]	1.770	4.800	1.770
Rmerge	0.069	0.052	0.323
Number of reflections	14530
<I/σ(I)>	10.7
Completeness [%]	99.8	100	98.5
Redundancy	10	9.2	9.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	50 mM NaCl, 0.3 mM tris(2-carboxyethyl)phosphine, 10 mM HEPES-NaOH (pH 7.8), 25% polyethylene glycol 3350, 200 mM sodium chloride, 40 mM glycine, 100 mM BIS-TRIS-HCl, (pH 5.5), vapor diffusion, sitting drop, temperature 293K