5IG8

Crystal structure of macrocyclase MdnB from Microcystis aeruginosa MRC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-23
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9787
Spacegroup name	C 1 2 1
Unit cell lengths	128.623, 37.990, 139.385
Unit cell angles	90.00, 116.55, 90.00

Refinement procedure

Resolution	36.027 - 2.278
R-factor	0.2161
Rwork	0.214
R-free	0.25540
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	0.991
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.027	2.359
High resolution limit [Å]	2.278	2.278
Rmerge	0.053	0.412
Number of reflections	28107
<I/σ(I)>	17.03	3.56
Completeness [%]	99.0	97
Redundancy	4.9	4.9
CC(1/2)	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		297	20% PEG 4,000, 20% 2-propanol and 100 mM sodium citrate, pH 5.6