6DT4

1.8 Angstrom Resolution Crystal Structure of cAMP-Regulatory Protein from Yersinia pestis in Complex with cAMP

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	2018-06-06
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	53.876, 82.800, 106.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.610 - 1.800
R-factor	0.1761
Rwork	0.175
R-free	0.20304
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ryp
RMSD bond length	0.008
RMSD bond angle	1.334
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MoRDa
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.058	0.722
Rmeas	0.062	0.776
Rpim	0.021	0.278
Number of reflections	44393	2134
<I/σ(I)>	30.5	2.9
Completeness [%]	99.1	97.3
Redundancy	8.5	7.5
CC(1/2)		0.874

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	292	6.6 mg/mL protein, 0.5 M sodium chloride, 0.01 M Tris-HCl, pH 8.3, 1 mM cAMP against PACT (H12) (0.2 M sodium malonate, 0.1 M Bis-Tris propane, pH 8.5, 20% w/v PEG3350)