5D15

Crystal structure of an adenylyl cyclase Ma1120 from Mycobacterium avium in complex with ATP 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	2014-02-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.978560
Spacegroup name	P 1 21 1
Unit cell lengths	52.530, 55.640, 55.070
Unit cell angles	90.00, 109.79, 90.00

Refinement procedure

Resolution	37.920 - 1.500
R-factor	0.1959
Rwork	0.195
R-free	0.21170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wp9
RMSD bond length	0.032
RMSD bond angle	1.289
Refinement software	PHENIX (1.10pre_2084)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.920	1.580
High resolution limit [Å]	1.500	1.500
Rmerge	0.083	1.000
Number of reflections	47922
<I/σ(I)>	8.1
Completeness [%]	100.0	100
Redundancy	4.5	4.4

Crystallization Conditions

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