7S50

Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Phycocyanin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	298
Detector technology	PIXEL
Collection date	2018-09-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97918
Spacegroup name	H 3 2
Unit cell lengths	188.500, 188.500, 61.000
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.420 - 2.100
R-factor	0.30684
Rwork	0.305
R-free	0.34685
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uvk
RMSD bond length	0.004
RMSD bond angle	0.839
Data reduction software	CrystFEL (v0.10.0)
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.800	2.170
High resolution limit [Å]	2.100	2.100
Number of reflections	24059	2370
<I/σ(I)>	12.6	0.6
Completeness [%]	100.0	100
Redundancy	3023	712
CC(1/2)	0.997	0.046

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		277	75 mM HEPES pH 7.0, 20 mM MgCl2, 9% PEG 3350