6VBF

1.85 Angstrom Resolution Crystal Structure of N-terminal Domain of Two-component System Response Regulator from Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2019-11-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 65
Unit cell lengths	51.819, 51.819, 194.504
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.394 - 1.850
Rwork	0.178
R-free	0.21610
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	1.424
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.071	0.776
Rmeas	0.077	0.839
Rpim	0.029	0.318
Number of reflections	25198	1210
<I/σ(I)>	28.2	2.8
Completeness [%]	99.9	100
Redundancy	6.9	6.9
CC(1/2)		0.905

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	Protein: 7.6 mg/ml, 0.01M Tris pH 8.3; Screen: PEGs II (H8), 0.2M Calcium acetate, 0.1M HEPES pH 7.5, 10% (w/v) PEG 8000. Cryo: 0.2M Calcium chloride, 0.1M HEPES pH 7.5, 30 %(w/v) PEG 4000.