4P2X

Swapped Dimer of Mycobacterial Adenylyl cyclase Rv1625c: Form 2

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	2013-12-01
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.978565
Spacegroup name	P 65
Unit cell lengths	75.570, 75.570, 133.170
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.760 - 2.400
R-factor	0.19925
Rwork	0.196
R-free	0.25957
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4p2m
RMSD bond length	0.007
RMSD bond angle	1.151
Data reduction software	iMOSFLM (1.0.7)
Data scaling software	SCALA (ccp4 6.3)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.780	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.080	0.526
Number of reflections	16832
<I/σ(I)>	23.5	4.9
Completeness [%]	99.8	99.6
Redundancy	11.5	11.5

Crystallization Conditions

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