3LTQ

Structure of Interleukin 1B solved by SAD using an inserted Lanthanide Binding Tag

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12B
Synchrotron site	NSLS
Beamline	X12B
Temperature [K]	100
Detector technology	CCD
Collection date	2006-07-30
Detector	ADSC QUANTUM 4
Wavelength(s)	0.95
Spacegroup name	P 63 2 2
Unit cell lengths	120.584, 120.584, 74.899
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.432 - 2.100
R-factor	0.195
Rwork	0.192
R-free	0.22100
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.135
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.6_289)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.075	0.060	0.274
Number of reflections	19092
<I/σ(I)>	28.4
Completeness [%]	99.0	97.9	98.9
Redundancy	15.4	17.4	11.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	298	100 mM sodium acetate trihydrate, pH 4.5, 3.0 M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 298K