5VAS

Pekin duck egg lysozyme isoform III (DEL-III), orthorhombic form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2017-03-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	44.005, 58.350, 107.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.780 - 1.400
R-factor	0.1451
Rwork	0.144
R-free	0.16930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1iee
RMSD bond length	0.009
RMSD bond angle	1.400
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.780	27.780	1.420
High resolution limit [Å]	1.400	7.670	1.400
Rmerge	0.091	0.034	0.912
Rmeas	0.094	0.035	0.946
Rpim	0.024	0.010	0.249
Total number of observations	803682
Number of reflections	55408
<I/σ(I)>	17.8
Completeness [%]	100.0	97.6	100
Redundancy	14.5	12.1	14.1
CC(1/2)	0.999	0.999	0.848

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	2.4 M ammonium phosphate monobasic, 100 mM Tris, pH 8.5