6CMV

Crystal structure of Archaeal Biofilm Regulator (AbfR2) from Sulfolobus acidocaldarius

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	72.859, 94.314, 78.909
Unit cell angles	90.00, 112.00, 90.00

Refinement procedure

Resolution	47.157 - 2.450
R-factor	0.1684
Rwork	0.166
R-free	0.21660
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.123
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	CRANK2
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.160	2.538
High resolution limit [Å]	2.450	2.450
Rmerge	0.035	0.355
Rmeas	0.049
Number of reflections	36289	3595
<I/σ(I)>	14.87	2.1
Completeness [%]	99.4	99
Redundancy	2	2
CC(1/2)	0.998	0.647

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	mother liquor: 45% (v/v) MPD, 0.1 M Bicine (pH 9) mixed 1:1 with 13.5 mg/mL protein in 300 mM NaCl, 20 mM HEPES, pH 7.5