5MBK

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	2015-11-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	69.600, 143.360, 57.480
Unit cell angles	90.00, 135.91, 90.00

Refinement procedure

Resolution	45.880 - 2.400
R-factor	0.2117
Rwork	0.209
R-free	0.26380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5m27
RMSD bond length	0.013
RMSD bond angle	1.357
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_2196)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.900		2.400
High resolution limit [Å]	2.300	10.000	2.300
Rmerge	0.103	0.047	0.983
Number of reflections	17359
<I/σ(I)>	10.29	31.85	1.84
Completeness [%]	98.5	94.3	98.7
Redundancy	5.2
CC(1/2)	0.997	0.997	0.682

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	293	0.1 M Na-HEPES pH 7.0, 20 % w/v PEG 3350; soak in 50mM Tris-HCl pH 7.6, 115 mM MgCl2, 48 mM ATP, 35% (w/v) PEG 3350 before cryo-cooling