4P2M

Swapped Dimer of Mycobacterial Adenylyl cyclase Rv1625c: Form 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2011-02-04
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9762
Spacegroup name	P 65
Unit cell lengths	74.570, 74.570, 133.740
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.280 - 2.700
R-factor	0.20254
Rwork	0.200
R-free	0.25390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4p2f
RMSD bond length	0.006
RMSD bond angle	1.178
Data reduction software	iMOSFLM (ccp4 version 6.3)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.450	2.850
High resolution limit [Å]	2.700	2.700
Rmerge	0.139	0.556
Number of reflections	11639
<I/σ(I)>	21.4	7.1
Completeness [%]	100.0	100
Redundancy	23	23

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8.5	293	0.2 M ammonium sulphate, Tris pH 8.5, 25% PEG 3350