6Y8M

Fragment bikinin bound to Interleukin 1 beta

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	OXFORD DIFFRACTION NOVA
Temperature [K]	100
Detector technology	CCD
Collection date	2019-05-21
Detector	OXFORD ONYX CCD
Wavelength(s)	1.5406
Spacegroup name	P 43
Unit cell lengths	54.795, 54.795, 75.218
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	13.000 - 1.900
R-factor	0.1979
Rwork	0.197
R-free	0.22190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nvh
RMSD bond length	0.008
RMSD bond angle	0.920
Data reduction software	CrysalisPro
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.15.2-3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	13.000	1.950
High resolution limit [Å]	1.900	1.900
Number of reflections	17221	1065
<I/σ(I)>	23.2	4.5
Completeness [%]	98.4	90.6
Redundancy	4.9	3
CC(1/2)	0.999	0.937

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	2.8M ammonium sulphate and 0.1M Tris pH7.9