5V8G

Pekin duck lysozyme isoform I (DEL-I)

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	2016-06-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	28.200, 65.400, 31.640
Unit cell angles	90.00, 113.24, 90.00

Refinement procedure

Resolution	32.700 - 1.200
R-factor	0.1468
Rwork	0.145
R-free	0.18030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1iee
RMSD bond length	0.013
RMSD bond angle	1.578
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.17)
Phasing software	PHASER (2.5.7)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	32.700	32.700	1.220
High resolution limit [Å]	1.200	6.580	1.200
Rmerge	0.080	0.060	0.481
Rmeas	0.090	0.069	0.547
Rpim	0.041	0.033	0.255
Number of reflections	30531
<I/σ(I)>	10.2
Completeness [%]	93.5	44	88.6
Redundancy	4.7	4.1	4.3
CC(1/2)	0.996	0.988	0.847

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	200 mM potassium thiocyanate, 100 mM Bis-Tris-propane, pH 8.5, 20% PEG3350