2F32

Xray crystal structure of lysozyme mutant L20/R63A liganded to ethylguanidinium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Spacegroup name	P 32 2 1
Unit cell lengths	60.879, 60.879, 96.121
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.380 - 1.800
R-factor	0.2
Rwork	0.200
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t8a
RMSD bond length	0.012
RMSD bond angle	1.400
Data reduction software	DENZO (DENZO)
Data scaling software	SCALEPACK (DENZO)
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.860
High resolution limit [Å]	1.800	1.800
Number of reflections	19758
<I/σ(I)>	28	3
Completeness [%]	99.0	99

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	1.8 M MIXED POTASSIUM AND SODIUM PHOSPHATE. 0.2 M ETHYL GUANIDINIUM CHLORIDE, pH 6.50, VAPOR DIFFUSION, HANGING DROP, temperature 277K