6Y8I

Fragment KCL_I013 in complex with IL-1-beta

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-17
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9763
Spacegroup name	P 43
Unit cell lengths	54.790, 54.790, 75.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.500 - 1.460
R-factor	0.2397
Rwork	0.238
R-free	0.26270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5r85
RMSD bond length	0.005
RMSD bond angle	0.822
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.790	1.490
High resolution limit [Å]	1.460	1.460
Number of reflections	37604	1878
<I/σ(I)>	16.9	1.1
Completeness [%]	97.0
Redundancy	6.8
CC(1/2)	1.000	0.500

Crystallization Conditions

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