5MBG

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	2011-08-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	C 2 2 21
Unit cell lengths	50.720, 101.790, 80.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.397 - 2.300
R-factor	0.2431
Rwork	0.240
R-free	0.29250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5m27
RMSD bond length	0.001
RMSD bond angle	0.354
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]	45.397		2.400
High resolution limit [Å]	2.300	10.000	2.300
Rmerge	0.108	0.048	1.099
Rmeas	0.112	0.051	1.146
Total number of observations	118071
Number of reflections	9537	141	1114
<I/σ(I)>	17.42	36.52	3.5
Completeness [%]	99.8	99.3	99.2
Redundancy	12.4
CC(1/2)	0.999	0.999	0.872

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	293	0.1 M Na-HEPES pH 7.0, 0.2 M NaI, 20 % w/v PEG 3350