6NON

Structure of Cyanthece apo McdA

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-02
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	P 64 2 2
Unit cell lengths	155.352, 155.352, 180.669
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	77.676 - 2.680
R-factor	0.1862
Rwork	0.184
R-free	0.22240
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.294
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AutoSol
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	134.500	275.000
High resolution limit [Å]	2.680	2.680
Rpim	0.045	0.470
Number of reflections	61015
<I/σ(I)>	17.6	2.1
Completeness [%]	80.8
Redundancy	4.7	3.5
CC(1/2)	0.997	0.616

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	ammonium sulfate, lithium sulfate