6PFY

Membrane Protein Megahertz Crystallography at the European XFEL, Photosystem I at synchrotron to 2.9 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-04-08
Detector	ADSC QUANTUM 315
Wavelength(s)	0.987
Spacegroup name	P 1 21 1
Unit cell lengths	278.496, 165.126, 283.427
Unit cell angles	90.00, 119.42, 90.00

Refinement procedure

Resolution	48.870 - 2.900
R-factor	0.30537
Rwork	0.303
R-free	0.34306
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jb0
RMSD bond length	0.007
RMSD bond angle	2.260
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.870	2.950
High resolution limit [Å]	2.900	2.900
Rmerge	0.136	0.481
Number of reflections	492002	24360
<I/σ(I)>	7.1	2.5
Completeness [%]	99.7	100
Redundancy	3.6	3.5
CC(1/2)	0.966	0.684

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICRODIALYSIS	6.4	283	MES 5 mM 5- 30 mM MgSO4 0.02 % beta-DDM