5M27

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	2010-10-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9786
Spacegroup name	P 1
Unit cell lengths	48.330, 56.570, 78.110
Unit cell angles	104.28, 104.24, 102.18

Refinement procedure

Resolution	44.915 - 2.000
R-factor	0.2117
Rwork	0.211
R-free	0.24270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2BYC and 1WC0
RMSD bond length	0.008
RMSD bond angle	0.902
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]	44.915	44.915	2.100
High resolution limit [Å]	2.000	10.000	2.000
Rmerge	0.048	0.022	0.343
Rmeas	0.058	0.026	0.404
Total number of observations	170587
Number of reflections	48658	396	6587
<I/σ(I)>	18.34	54.23	4.38
Completeness [%]	96.7	97.8	95.8
Redundancy	3.5
CC(1/2)	0.998	0.997	0.882

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	0.1 M Na-MES pH 6.5, 0.2 M CaCl2,0.6 M NaCl, 20 % w/v PEG 3350; 3% w/v 1,6-diaminohexane in drop