5TE9

Crystal structure of a 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	2016-08-18
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	C 2 2 21
Unit cell lengths	57.390, 103.840, 55.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.906 - 2.401
R-factor	0.2086
Rwork	0.201
R-free	0.26930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5BRI chain A
RMSD bond length	0.007
RMSD bond angle	0.850
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (dev_2499)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.460
High resolution limit [Å]	2.400	10.740	2.400
Rmerge	0.062	0.037	0.567
Number of reflections	6748
<I/σ(I)>	19.51	41.91	3.75
Completeness [%]	99.7	95.9	100
Redundancy	3.5
CC(1/2)	0.999	0.998	0.907

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	BuphA.00051.b.B1.PS37982 at 35 mg/mL against MCSG1 screen condition E4, 0.2 M Li2SO4, 0.1 M Tris pH 8.5, 25% PEG 3350 supplemented with 20% EG as cryo-protectant