4N5R

Hen egg-white lysozyme phased using free-electron laser data

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	2013-03-08
Detector	Cornell-SLAC Pixel Array Detector (CSPAD)
Wavelength(s)	1.45
Spacegroup name	P 43 21 2
Unit cell lengths	79.100, 79.100, 39.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.550 - 2.100
R-factor	0.2322
Rwork	0.231
R-free	0.25632
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vds
RMSD bond length	0.008
RMSD bond angle	1.285
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHASER
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall
Low resolution limit [Å]	40.000
High resolution limit [Å]	2.100
Number of reflections	7294
Completeness [%]	100.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	batch	3	293	20 % NaCl, 6 % PEG 6000, 1 M Na acetate pH 3.0, stored in 8% NaCl, 0.1 M sodium acetate buffer, pH 4.0, soaked in storage solution + 100 mM gadoteridol, batch, temperature 293K