5MBJ

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	2016-04-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.954
Spacegroup name	P 1
Unit cell lengths	47.660, 57.070, 71.310
Unit cell angles	82.42, 75.79, 76.88

Refinement procedure

Resolution	45.244 - 2.300
R-factor	0.2045
Rwork	0.203
R-free	0.25280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5m27
RMSD bond length	0.015
RMSD bond angle	1.539
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]	45.250		2.400
High resolution limit [Å]	2.300	10.000	2.300
Rmerge	0.059	0.021	0.698
Rmeas	0.083	0.030	0.987
Total number of observations	53661
Number of reflections	30125	361	3590
<I/σ(I)>	8.46	34.09	1.09
Completeness [%]	95.9	93.3	95.8
Redundancy	1.8
CC(1/2)	0.997	0.998	0.440

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	293	0.1 M Tris-HCl pH 8.0, 0.3 M Mg(NO3)2, 23 % w/v PEG 2000; Cryoprotection in 0.1 M Tris HCl pH 8.0, 50 mM MgCl2, 35 % w/v PEG 3350