1H87

Gadolinium derivative of tetragonal Hen Egg-White Lysozyme at 1.7 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-01-15
Detector	MARRESEARCH
Spacegroup name	P 43 21 2
Unit cell lengths	77.250, 77.250, 38.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.330 - 1.720
R-factor	0.18
Rwork	0.180
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PBD ENTRY 6LYT
RMSD bond length	0.009
RMSD bond angle	23.200 *
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.200	1.810
High resolution limit [Å]	1.720	1.720
Rmerge	0.059 *	0.173 *
Total number of observations	166568 *
Number of reflections	12876
<I/σ(I)>	8.1	4
Completeness [%]	99.5	96.8
Redundancy	12.5	8.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.5	293	NACL 0.8 M, SODIUM ACETATE 50 MM, PH4.5, GD-HP-DO3A 100MM, [PROT]=40 MG/ML, 293 K, pH 4.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		0.7-1.0 (M)
2	1	reservoir	sodium acetate	50 (mM)	pH4.5
3	1	drop	protein	100 (mM)