5D0G

Crystal structure of triple mutant (KDA to EGY) of adenylyl cyclase Ma1120 from Mycobacterium avium in complex with GTP and calcium ion

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	2013-11-28
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 1 21 1
Unit cell lengths	52.070, 55.630, 55.140
Unit cell angles	90.00, 108.67, 90.00

Refinement procedure

Resolution	38.081 - 1.600
R-factor	0.19
Rwork	0.189
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wp9
RMSD bond length	0.011
RMSD bond angle	1.268
Refinement software	PHENIX (1.10PRE_2084)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.081	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.067	0.760
Number of reflections	39208
<I/σ(I)>	10.2	1.7
Completeness [%]	99.4	98.6
Redundancy	3.8	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.5	291	0.1M HEPES, 30% (w/v) PEG 1000