6F1O

Orthorhombic Lysozyme crystallized at 298 K and pH 4.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97926
Spacegroup name	P 21 21 21
Unit cell lengths	30.062, 56.176, 73.289
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.963 - 0.960
R-factor	0.1317
Rwork	0.131
R-free	0.14160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e3u
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	18.730	18.730	0.980
High resolution limit [Å]	0.960	5.260	0.960
Rmerge	0.050	0.051	0.791
Rmeas	0.053	0.055	0.848
Rpim	0.017	0.018	0.295
Total number of observations	763574
Number of reflections	76153	502	3307
<I/σ(I)>	23.1
Completeness [%]	99.3	92.7	88.4
Redundancy	10	9.2	7.5
CC(1/2)	0.998	0.993	0.745

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	298	0.2 M Sodium Chloride, 0.1 M Sodium Acetate