6HQ4

Structure of EAL enzyme Bd1971 - cAMP bound form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.92819
Spacegroup name	P 31
Unit cell lengths	82.380, 82.380, 131.320
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	65.660 - 2.630
R-factor	0.2426
Rwork	0.240
R-free	0.28630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	using full length model
RMSD bond length	0.006
RMSD bond angle	1.075
Data reduction software	XDS
Data scaling software	Aimless (0.5.1)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.660	65.660	2.700
High resolution limit [Å]	2.630	11.760	2.630
Rmerge	0.048	0.023	0.926
Rmeas	0.055	0.026	1.061
Rpim	0.027	0.013	0.514
Total number of observations	117749
Number of reflections	29505	328	2191
<I/σ(I)>	14.3
Completeness [%]	99.5	98.6	99.8
Redundancy	4	4	4.2
CC(1/2)	0.999	0.999	0.616

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.7	291	0.2M Mg Formate pH 5.7 20% w/v PEG 3350 2.5mM cAMP