1BB6

LYSOZYME COMPLEX WITH 4-METHYL-UMBELLIFERYL CHITOTRIOSE

Experimental procedure

Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Temperature [K]	298
Detector technology	DIFFRACTOMETER
Collection date	1996-03
Detector	ENRAF-NONIUS FAST
Spacegroup name	P 31 2 1
Unit cell lengths	76.690, 76.690, 54.710
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	8.000 - 2.000
R-factor	0.211 *
Rwork	0.211
R-free	0.27100
Structure solution method	PHASES FOR NATIVE STRUCTURE
RMSD bond length	0.015
RMSD bond angle	0.040
Data reduction software	MADNES
Data scaling software	SCALA
Phasing software	CCP4
Refinement software	PROLSQ

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.000	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.105 *
Total number of observations	20088 *
Number of reflections	11445
<I/σ(I)>	5.9	1.8
Completeness [%]	89.5	42.7
Redundancy	1.8	1.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	10	277 *	Karlsen, S., (1995) Acta Crystallogr.,Sect.D, 51, 354. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	acetate	0.1 (M)
2	1	reservoir	citrate	0.1 (M)
3	1	reservoir	phosphate	0.1 (M)
4	1	drop	lysozyme	18 (mg/ml)	80& of typeI and 20% of type II
5	1	drop	ammonium sulfate	30-45 (%sat)