5MBB

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	2010-05-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	57.420, 96.690, 163.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.371 - 3.100
R-factor	0.1998
Rwork	0.198
R-free	0.23350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5m27
RMSD bond length	0.002
RMSD bond angle	0.510
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]	49.400		3.200
High resolution limit [Å]	3.100	10.000	3.100
Rmerge	0.240	0.068	1.447
Number of reflections	17193
<I/σ(I)>	10.77	29.17	2.05
Completeness [%]	99.9	99.1	99.7
Redundancy	11.6
CC(1/2)	0.994	0.994	0.707

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	0.1 M Na-MES pH 6.5, 0.2 M Mg acetate, 20 % w/v PEG 3000, 3% w/v 1,6-diaminohexane