4UYO

Structure of delta7-DgkA in 7.9 MAG by serial femtosecond crystatallography to 2.18 angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SLAC LCLS BEAMLINE CXI
Synchrotron site	SLAC LCLS
Beamline	CXI
Temperature [K]	293
Detector technology	PIXEL
Collection date	2013-03-25
Detector	Cornell-SLAC Pixel Array Detector (CSPAD)
Wavelength(s)	1.302
Spacegroup name	P 21 21 21
Unit cell lengths	75.300, 91.800, 141.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.013 - 2.180
R-factor	0.209
Rwork	0.208
R-free	0.23620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ze3
RMSD bond length	0.008
RMSD bond angle	0.949
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.500	2.240
High resolution limit [Å]	2.180	2.180
Number of reflections	54058
<I/σ(I)>	19	0.44
Completeness [%]	100.0	100
Redundancy	3466	3519

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	5.6	293	0.2 %(V/V) 2-METHYL-2, 4-PENTANEDIOL (MPD), 0.1 M SODIUM CHLORIDE, 0.1 M SODIUM CITRATE/HCL PH 5.6. CRYSTALLIZED USING THE IN MESO (LIPID CUBIC PHASE) METHOD AT 20 DEGREES CELCIUS WITH THE 7.9 MONOACYLGLYCEROL (7.9 MAG) AS THE HOSTING LIPID.CRYSTALLIZATION WAS SET UP BY INCUBATING 20 MICROLITERS OF LIPID CUBIC PHASE WITH 400 MICROLITERS OF PRECIPITANT SOLUTION IN COUPLED SYRINGES.