5M2A

Structure of a bacterial light-regulated adenylyl cylcase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-04-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	47.700, 56.200, 78.000
Unit cell angles	104.10, 103.90, 102.20

Refinement procedure

Resolution	44.360 - 1.800
R-factor	0.1704
Rwork	0.169
R-free	0.21510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5m27
RMSD bond length	0.005
RMSD bond angle	0.717
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.360	44.360	1.900
High resolution limit [Å]	1.800	10.000	1.800
Rmerge	0.082	0.043	0.400
Rmeas	0.096	0.049	0.566
Total number of observations	215566
Number of reflections	64706	384	9175
<I/σ(I)>	9.44	22.37	1.84
Completeness [%]	95.4	97.5	90.4
Redundancy	3.3
CC(1/2)	0.995	0.997	0.697

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	0.1 M Na-MES pH 6.5, 0.6 M NaCl, 20 % w/v PEG 3350; 0.3 mM alpha,beta-methylene-ATP in drop