1IK7

Crystal Structure of the Uncomplexed Pelle Death Domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	2000-02-10
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9470
Spacegroup name	I 21 21 21
Unit cell lengths	70.106, 95.542, 103.196
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 * - 2.300
R-factor	0.239
Rwork	0.239
R-free	0.25900 *
Structure solution method	MIR
RMSD bond length	0.006
RMSD bond angle	0.840 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.350
High resolution limit [Å]	2.300	2.300
Rmerge	0.063	0.256
Number of reflections	15711
<I/σ(I)>	19.6	3
Completeness [%]	99.4	99.8
Redundancy	5.6	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5 *	4 *	45% 2-methyl-2,4-pentanediol, Tris, 0.4 M sodium chloride, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K
1	Vapor diffusion *	7.5 *	4 *	45% 2-methyl-2,4-pentanediol, Tris, 0.4 M sodium chloride, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K
1	Vapor diffusion *	7.5 *	4 *	45% 2-methyl-2,4-pentanediol, Tris, 0.4 M sodium chloride, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Tris-Cl	20 (mM)	pH7.5
3	1	drop		100 (mM)
4	1	drop	dithiothreitol	1 (mM)
5	1	drop	EDTA	1 (mM)
6	1	reservoir	MPD	40-46 (%)
7	1	reservoir		0.4-0.6 (M)
8	1	reservoir	Tris-Cl	0.1 (M)	pH8.0