6NIH

Crystal structure of human TLR1

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	2016-07-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97926
Spacegroup name	P 1 21 1
Unit cell lengths	79.028, 74.377, 106.076
Unit cell angles	90.00, 96.97, 90.00

Refinement procedure

Resolution	46.397 - 2.300
R-factor	0.2449
Rwork	0.243
R-free	0.27360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2z7x
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.290
High resolution limit [Å]	2.250	6.100	2.250
Rmerge	0.095	0.061	1.447
Rmeas	0.101	0.065	1.552
Rpim	0.034	0.022	0.548
Number of reflections	59039	3045	2921
<I/σ(I)>	5.6
Completeness [%]	99.1	98.9	98.8
Redundancy	8.5	8.7	7.4
CC(1/2)	0.946	0.998	0.708

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M ammonium citrate tribasic pH7.0, 0.1 M imidazole pH7.5 and 18% PEG1900 MME