1GWD

Tri-iodide derivative of hen egg-white lysozyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ELLIOTT GX-13
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-10-15
Detector	MAR scanner 180 mm plate
Spacegroup name	P 43 21 2
Unit cell lengths	79.050, 79.050, 36.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.090 - 1.770
R-factor	0.17
Rwork	0.168
R-free	0.20800 *
Structure solution method	OTHER
RMSD bond length	0.017 *
RMSD bond angle	1.353 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.090 *	1.870
High resolution limit [Å]	1.770	1.770
Rmerge	0.021	0.046
Number of reflections	143946
<I/σ(I)>	22.7	15.5
Completeness [%]	99.8	100 *
Redundancy	12.1	11.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.7		2M NACL, 0.025M SODIUM ACETATE AT PH4.7,0.1% SODIUM AZIDE, 25% ETHYLENE GLYCOL AND THEN SOAKED IN AN EQUIVALENT SOLUTION WITH 50MM KI/50MM I2., pH 4.70

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		2 (M)
2	1	reservoir	sodium acetate	0.025 (M)	pH4.7
3	1	reservoir	ethylene glycol	25 (%(v/v))
4	1	drop	HEWL	100 (mg/ml)
5	1	drop	sodium acetate	0.1 (M)
6	1	drop		0.1 (%)