2ZPX

TNF Receptor Subtype One-selective TNF Mutant with Antagonistic Activity; R1antTNF-T8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2004-11-06
Spacegroup name	P 21 21 21
Unit cell lengths	49.586, 111.331, 75.382
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.830
R-factor	0.268
Rwork	0.268
R-free	0.30900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tnf
RMSD bond length	0.012
RMSD bond angle	1.900
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.670	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.244	0.530
Number of reflections	10337
<I/σ(I)>	36.4	3.16
Completeness [%]	92.9	85.6
Redundancy	3.5	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	15% PEG1500, 0.2M Calcium Acetate, 0.1M Sodium Cacodylate, pH6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K