5X4U

PAC from Oscillatoriaacuminata after 60 seconds photoactivation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-16
Detector	ADSC QUANTUM 270
Wavelength(s)	1.00
Spacegroup name	P 61 2 2
Unit cell lengths	77.149, 77.149, 204.824
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.923 - 1.800
R-factor	0.2047
Rwork	0.203
R-free	0.24490
RMSD bond length	0.008
RMSD bond angle	0.960
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.800
Number of reflections	33703
<I/σ(I)>	33.2
Completeness [%]	97.9
Redundancy	11.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100mM Sodium Citrate pH5.0, 10% PEG 20000, 5mM ApCpp, 2mM MgCl2