5D0E

Crystal Structure of an adenylyl cyclase Ma1120-Cat in complex with GTP and calcium from Mycobacterium avium

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	2014-02-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.978560
Spacegroup name	P 1 21 1
Unit cell lengths	52.590, 55.710, 55.270
Unit cell angles	90.00, 109.74, 90.00

Refinement procedure

Resolution	27.095 - 1.480
R-factor	0.1907
Rwork	0.189
R-free	0.22540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wp9
RMSD bond length	0.013
RMSD bond angle	0.803
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.100	1.560
High resolution limit [Å]	1.480	1.480
Rmerge	0.068	0.930
Number of reflections	50213
<I/σ(I)>	13.2
Completeness [%]	99.8	99.1
Redundancy	7.4	7

Crystallization Conditions

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