2F2Q

High resolution crystal structure of T4 lysozyme mutant L20R63/A liganded to guanidinium ion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-05-26
Detector	ADSC
Spacegroup name	P 32 2 1
Unit cell lengths	60.712, 60.712, 95.352
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.450
R-factor	0.2
Rwork	0.200
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t8a
RMSD bond length	0.013
RMSD bond angle	1.500
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	1.500
High resolution limit [Å]	1.450	1.450
Number of reflections	36743
<I/σ(I)>	27	3.6
Completeness [%]	90.0	89

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5	277	0.5 mM protein, 1.8 M MIXED POTASSIUM AND SODIUM PHOSPHATE, 0.2 M GUANIDINIUM CHLORIDE, PH 6.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K, pH 6.50