1IRA

COMPLEX OF THE INTERLEUKIN-1 RECEPTOR WITH THE INTERLEUKIN-1 RECEPTOR ANTAGONIST (IL1RA)

Experimental procedure

Source type	ROTATING ANODE
Source details	MACSCIENCE M18X
Temperature [K]	296
Detector technology	AREA DETECTOR
Collection date	1994-09
Detector	SIEMENS
Spacegroup name	P 21 21 21
Unit cell lengths	47.200, 84.600, 140.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.700
R-factor	0.213
Rwork	0.213
R-free	0.31400
Structure solution method	MIR + MOLECULAR REPLACEMENT
Starting model (for MR)	IL1RA STRUCTURE (PDB ENTRY 1ILR) AND TRUNCATED CD4 DOMAIN (PDB ENTRY 2CD4)
RMSD bond length	0.004
RMSD bond angle	26.500 *
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SQUASH
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.060 *	0.325 *
Total number of observations	73407 *
Number of reflections	15631
Completeness [%]	97.2	85.3
Redundancy	4.7	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8.8 *	23 *	THE COMPLEX OF THE IL-1 RECEPTOR WITH THE ANTAGONIST WAS PREPARED BY MIXING A SOLUTION OF IL-1 RECEPTOR IN 50 MM TRIS (PH 7.5) AND 150 MM NACL WITH A SOLUTION OF IL1RA IN THE SAME BUFFER. THE COMPLEX WAS CRYSTALLIZED USING THE HANGING DROP METHOD. THE DROPS WERE PREPARED BY MIXING 4 UL OF THE PROTEIN SOLUTION WITH 1 UL OF RESERVOIR SOLUTION, CONTAINING 30% (W/V) PEG 3350, 400 MM MGCL2 IN 100 MM MOPS BUFFER (PH 7.0)., vapor diffusion - hanging drop

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	13 (mg/ml)
2	1	reservoir	ammonium phosphate	1.6 (M)