1D5E

The role of phenylalanine 8 in the stabilization of the S protein-S peptide interaction: Packing and cavities

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1999-08-27
Detector	MARRESEARCH
Spacegroup name	P 31 2 1
Unit cell lengths	44.600, 44.600, 98.070
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 2.250
R-factor	0.209
Rwork	0.209
R-free	0.23100
RMSD bond length	0.006
RMSD bond angle	1.600
Data reduction software	AUTOMAR
Data scaling software	XDS
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.096	0.450
Number of reflections	4923 *
<I/σ(I)>	11.1
Completeness [%]	98.0	95
Redundancy	6	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	5.75	20 *	Thomson, J., (1994) Biochemistry, 33, 8587. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4-5 (mg/ml)
2	1	drop		3 (M)
3	1	drop	acetate	0.1 (M)
4	1	drop	ammonium sulfate	35 (%)