6S7N

Crystal structure of orthorhombic lysozyme grown at pH 5.5 with a 26% of solvent content

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	30.037, 51.699, 61.531
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.846 - 1.200
R-factor	0.1605
Rwork	0.160
R-free	0.17410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6f1m
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.850	19.850	1.220
High resolution limit [Å]	1.200	6.570	1.200
Rmerge	0.040	0.032	0.695
Rmeas	0.046	0.038	0.810
Rpim	0.022	0.019	0.409
Total number of observations	121637	746	5527
Number of reflections	30547	216	1460
<I/σ(I)>	13.5	37.5	1.9
Completeness [%]	99.5	93.9	99.9
Redundancy	4	3.5	3.8
CC(1/2)	0.999	0.998	0.630

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	0.2 M sodium chloride, 5mM lithium sulphate, 0.1M sodium acetate