1FYV

CRYSTAL STRUCTURE OF THE TIR DOMAIN OF HUMAN TLR1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	1999-11-12
Detector	ADSC QUANTUM 4
Spacegroup name	P 64 2 2
Unit cell lengths	101.300, 101.300, 137.900
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.900
R-factor	0.254
Rwork	0.254
R-free	0.29600
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MADSYS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	3.000
High resolution limit [Å]	2.900	2.900
Rmerge	0.048	0.170
Number of reflections	9374
<I/σ(I)>	40
Completeness [%]	97.0	91
Redundancy	5	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	294	100 mM Tris, 1.2M NaH2PO4/K2HPO4 5 mM DTT, 20% glycerol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 21K
1	VAPOR DIFFUSION, HANGING DROP	8	294	100 mM Tris, 1.2M NaH2PO4/K2HPO4 5 mM DTT, 20% glycerol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 21K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Tris	100 (mM)
2	1	reservoir	sodium potassium phosphate	1.2 (M)
3	1	reservoir	dithiothreitol	5 (mM)
4	1	reservoir	glycerol	20 (%)