7KP8

asymmetric mTNF-alpha hTNFR1 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2012-08-17
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9787
Spacegroup name	P 41 21 2
Unit cell lengths	133.577, 133.577, 141.445
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.610 - 3.150
R-factor	0.2241
Rwork	0.222
R-free	0.27160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	unpublished structure
RMSD bond length	0.011
RMSD bond angle	1.222
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	48.558	3.320
High resolution limit [Å]	3.150	9.960	3.150
Rmerge	0.190	0.045	0.896
Rmeas	0.212	0.053	1.007
Rpim	0.095	0.027	0.450
Number of reflections	22757	810	3249
<I/σ(I)>	8.3	5.2	0.8
Completeness [%]	99.9	97.8	100
Redundancy	4.9	4.2	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.65	298	800 mM sodium potassium tartrate, 0.45% PEG 5000 MME, 100 mM Tris, pH7.65. Vapor diffusion, sitting drop, temperature 289K