1CR9

CRYSTAL STRUCTURE OF THE ANTI-PRION FAB 3F4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1996-10-30
Detector	RIGAKU RAXIS IIC
Spacegroup name	C 1 2 1
Unit cell lengths	98.900, 77.600, 70.600
Unit cell angles	90.00, 110.56, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.171 *
Rwork	0.171
R-free	0.21700
RMSD bond length	0.011
RMSD bond angle	1.782
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.055	0.220
Number of reflections	33314 *	2242 *
<I/σ(I)>	10.1
Completeness [%]	98.5	90.6
Redundancy	3.4	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7 *	298	ammonium sulphate, PEG 400, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	MOPS	10 (mM)
2	1	drop	protein	20 (mg/ml)
3	1	drop		50 (mM)
4	1	drop		2 (mM)
5	1	reservoir	ammonium sulfate	2.0 (M)
6	1	reservoir	PEG400	2 (%(v/v))
7	1	reservoir	HEPES	100 (mM)