1MD6

High resolution crystal structure of murine IL-1F5 reveals unique loop conformation for specificity

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-02-28
Detector	ADSC QUANTUM 4
Wavelength(s)	0.934
Spacegroup name	P 32 2 1
Unit cell lengths	78.932, 78.932, 69.740
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.500 - 1.600
Rwork	0.204
R-free	0.21200 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2mib
RMSD bond length	0.005
RMSD bond angle	1.400
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.500	1.580
High resolution limit [Å]	1.580 *	1.500
Rmerge	0.078 *	0.478
Number of reflections	40560 *
<I/σ(I)>	18.9	3.7
Completeness [%]	100.0	100
Redundancy	6.5	7.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	18 *	ammomium sulphate, HEPES, potassium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	reservoir		0.1 (M)
3	1	reservoir	HEPES	0.1 (M)	pH7.5
4	1	reservoir	ammonium sulfate	1.3 (M)