1L2H

Crystal structure of Interleukin 1-beta F42W/W120F mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2000-11-22
Detector	CUSTOM-MADE
Wavelength(s)	1.03320
Spacegroup name	P 43
Unit cell lengths	53.890, 53.890, 77.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.000 - 1.540
Rwork	0.154
R-free	0.19300
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	2.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.600
High resolution limit [Å]	1.540	1.540
Rmerge	0.074 *	0.516 *
Number of reflections	31800	3196 *
<I/σ(I)>	23.4	2.6
Completeness [%]	97.1	98.2
Redundancy	7.6	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *	295	ammonium sulphate, DTT, PIPES, VAPOR DIFFUSION, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	11.6 (mg/ml)
2	1	reservoir	PIPES-NaOH	50 (mM)	pH7.0
3	1	reservoir	ammonium sulfate	2.0-2.2 (M)
4	1	reservoir	dithiothreitol	5 (mM)