4TWS

Gadolinium Derivative of Tetragonal Hen Egg-White Lysozyme at 1.45 A Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	90
Detector technology	CCD
Collection date	2007-06-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979340
Spacegroup name	P 43 21 2
Unit cell lengths	77.220, 77.220, 38.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.610 - 1.450
R-factor	0.139
Rwork	0.138
R-free	0.16100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h87
RMSD bond length	0.006
RMSD bond angle	1.424
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.610	1.490
High resolution limit [Å]	1.450	1.450
Rmerge	0.045	0.282
Number of reflections	19784
<I/σ(I)>	17.57	1.86
Completeness [%]	87.8	39
Redundancy	3.4	1.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	294	Tetragonal crystals were grown by the vapour-diffusion technique using the hanging-drop method, with 0.7-1.0 M sodium chloride and 50 mM sodium acetate buffer at pH 4.5. Derivative crystals containing gadolinium were obtained using concentrations of Gd-HPDO3A in the range 10-100 mM.
1	VAPOR DIFFUSION, HANGING DROP	4.5	294	Tetragonal crystals were grown by the vapour-diffusion technique using the hanging-drop method, with 0.7-1.0 M sodium chloride and 50 mM sodium acetate buffer at pH 4.5. Derivative crystals containing gadolinium were obtained using concentrations of Gd-HPDO3A in the range 10-100 mM.