1ICF

CRYSTAL STRUCTURE OF MHC CLASS II ASSOCIATED P41 II FRAGMENT IN COMPLEX WITH CATHEPSIN L

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	289
Detector technology	IMAGE PLATE
Collection date	1997-03-15
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	62.592, 80.594, 64.245
Unit cell angles	90.00, 96.77, 90.00

Refinement procedure

Resolution	10.000 - 2.000
Rwork	0.182
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cjl
RMSD bond length	0.011
RMSD bond angle	1.380
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	MAIN

Data quality characteristics

	Overall
Low resolution limit [Å]	99.000
High resolution limit [Å]	2.000
Rmerge	0.110 *
Total number of observations	132945 *
Number of reflections	42072
Completeness [%]	97.0
Redundancy	3.16

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5 *		SITTING DROP VAPOR DIFFUSION METHOD RESERVOIR CONTAINED 1ML OF 0.2 M NA- ACETATE TRIHYDRATE, 30% W/V PEG 8K AND 0.1M MES, PH 6.1. DROP WAS COMPOSED OF 2 MICRO L OF RESERVOIR SOLUTION AND 2 MICRO L OF THE COMPLEX (10 MG/ML) IN 20MM NA-ACETATE AND 1MM EDTA, PH 5.0.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	Na acetate	0.2 (M)
3	1	reservoir	PEG8000	30 (%(v/v))
4	1	reservoir	MES	0.1 (M)
5	1	drop	Na acetate	20 (mM)
6	1	drop	EDTA	1 (mM)