4WP3

Crystal Structure of Adenylyl cyclase from Mycobacterium avium Ma1120 wild type

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	2010-07-25
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97625
Spacegroup name	P 1 21 1
Unit cell lengths	97.790, 53.870, 111.200
Unit cell angles	90.00, 94.77, 90.00

Refinement procedure

Resolution	35.210 - 1.950
R-factor	0.1801
Rwork	0.178
R-free	0.21350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fx4 3et6
RMSD bond length	0.005
RMSD bond angle	0.774
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.220	2.060
High resolution limit [Å]	1.950	1.950
Rmerge		0.542
Number of reflections	84325
<I/σ(I)>	0.075	3.2
Completeness [%]	99.7	99.3
Redundancy	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.5	291	0.1M HEPES, 25% PEG 3350