5MBH

Structure of a bacterial light-regulated adenylyl cyclase

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	2013-10-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	65.780, 142.600, 56.890
Unit cell angles	90.00, 134.64, 90.00

Refinement procedure

Resolution	44.468 - 2.400
R-factor	0.2094
Rwork	0.207
R-free	0.25140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5m27
RMSD bond length	0.012
RMSD bond angle	1.224
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]	44.500		2.600
High resolution limit [Å]	2.400	10.000	2.400
Rmerge	0.082	0.025	0.873
Rmeas	0.092	0.028	0.989
Total number of observations	68085
Number of reflections	14534	210	3071
<I/σ(I)>	12.78	49.27	1.83
Completeness [%]	98.5	94.2	98.5
Redundancy	4.7
CC(1/2)	0.999	0.999	0.685

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	293	0.1 M Tris-HCl pH 8.5, 0.2 M MgCl2, 30 % (w/v) PEG 4000