5V92

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	2016-10-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	43.870, 58.170, 107.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.080 - 1.110
R-factor	0.1386
Rwork	0.137
R-free	0.16180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1iee
RMSD bond length	0.010
RMSD bond angle	1.519
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.27)
Phasing software	PHASER (2.6.1)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.750	35.750	1.130
High resolution limit [Å]	1.110	6.080	1.110
Rmerge	0.072	0.038	0.816
Rmeas	0.078	0.042	0.882
Rpim	0.028	0.017	0.331
Number of reflections	108789
<I/σ(I)>	13.3
Completeness [%]	99.7	82.7	100
Redundancy	7.9	6.4	7
CC(1/2)	0.998	0.996	0.788

Crystallization Conditions

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