5TQJ

Crystal structure of response regulator receiver protein from Burkholderia phymatum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-12
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 43 21 2
Unit cell lengths	82.600, 82.600, 31.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.940 - 1.300
R-factor	0.1409
Rwork	0.138
R-free	0.17150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nhz
RMSD bond length	0.005
RMSD bond angle	0.845
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.11rc3_2553)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.330
High resolution limit [Å]	1.300	5.810	1.300
Rmerge	0.061	0.040	0.416
Number of reflections	26700
<I/σ(I)>	25.89	50.87	6.3
Completeness [%]	95.8	96.7	91.7
Redundancy	12.2
CC(1/2)	0.999	0.999	0.955

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	BuphA.00051.a.B1.PS38011 at 14 mg/mL against MCSG1 screen condition C9, 0.8M LiCl, 0.1 M Tris pH 8.5, 32% PEG 4000 supplemented with 20% ethylene glycol as cryo protectant, crystal tracking ID 284229c9, unique puck LBQ7-6