4RW2

Hen egg-white lysozyme structure from a spent-beam experiment at LCLS: refocused beam

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	2012-11-01
Detector	CSPAD
Wavelength(s)	1.63
Spacegroup name	P 43 21 2
Unit cell lengths	79.020, 79.020, 38.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.550 - 2.300
R-factor	0.20677
Rwork	0.204
R-free	0.25080
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4et8
RMSD bond length	0.007
RMSD bond angle	0.968
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	REFMAC (5.5.0102)
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.400
High resolution limit [Å]	2.300	2.300
Number of reflections	5742
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	batch	3	293	After crystallization, the solution used for growing the crystals (20 % NaCl, 6 % PEG 6000, 1 M Na acetate pH 3.0) was exchanged for storage solution (10 % NaCl, 1.0 M Na acetate pH 3.4) , batch, temperature 293K