3LN2

Crystal Structure of a Charge Engineered Human Lysozyme Variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-12-15
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	42.421, 63.795, 111.077
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.859 - 2.037
R-factor	0.1835
Rwork	0.181
R-free	0.22180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lzs
RMSD bond length	0.008
RMSD bond angle	1.014
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.5_2)
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.860	2.140
High resolution limit [Å]	2.030	2.030
Rmerge		0.186
Number of reflections	19855
<I/σ(I)>	21.58	9.49
Completeness [%]	98.4	90.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.3	291	20mM Na-Acetate, 1.25M NaCl, pH 4.3, VAPOR DIFFUSION, HANGING DROP, temperature 291K