5MBD

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, 56.710, 77.730
Unit cell angles	104.65, 103.86, 102.72

Refinement procedure

Resolution	44.289 - 2.250
R-factor	0.1903
Rwork	0.190
R-free	0.21720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5m27
RMSD bond length	0.004
RMSD bond angle	0.689
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]	44.300		2.350
High resolution limit [Å]	2.250	10.000	2.250
Rmerge	0.068	0.029	0.507
Number of reflections	33433
<I/σ(I)>	11.43	26.4	3.28
Completeness [%]	96.3	97.5	95.1
Redundancy	2.9

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