6HQ7

Structure of EAL Enzyme Bd1971 - cGMP bound form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-10-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97949
Spacegroup name	P 31
Unit cell lengths	82.570, 82.570, 134.590
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	63.150 - 2.460
R-factor	0.2229
Rwork	0.221
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	used full length model
RMSD bond length	0.010
RMSD bond angle	1.480
Data reduction software	XDS
Data scaling software	Aimless (0.1.29)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.150	63.150	2.520
High resolution limit [Å]	2.460	11.000	2.460
Rmerge	0.043	0.037	0.594
Rmeas	0.048	0.041	0.658
Rpim	0.021	0.018	0.282
Total number of observations	192538
Number of reflections	37250	421	2752
<I/σ(I)>	18.9
Completeness [%]	99.9	98.4	100
Redundancy	5.2	5	5.4
CC(1/2)	0.999	0.997	0.783

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 2.5 mM cGMP