1A8M

TUMOR NECROSIS FACTOR ALPHA, R31D MUTANT

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	290
Detector technology	IMAGE PLATE
Collection date	1994-07
Detector	RIGAKU
Spacegroup name	P 41 21 2
Unit cell lengths	94.700, 94.700, 117.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.300
R-factor	0.218
Rwork	0.218
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tnf
RMSD bond length	0.013
RMSD bond angle	2.300
Data reduction software	PROCESS
Data scaling software	PROCESS
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.078
Total number of observations	85815 *
Number of reflections	21396
<I/σ(I)>	7.8	1.8
Completeness [%]	97.3
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	5.5		CRYSTALLIZED FROM 88% MGSO4, 1-2% PEG 400, 0.2 M MES, PH 5.5.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop		0.15 (M)
3	1	drop	Tris-HCl	0.02 (M)
4	1	drop	magnesium sulfate
5	1	reservoir	MES	0.2 (M)
6	1	reservoir	PEG400	1-2 (%)