1QCJ

LOW TEMPERATURE COMPLEX OF POKEWEED ANTIVIRAL PROTEIN WITH PTEORIC ACID

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-11-04
Detector	RIGAKU RAXIS
Spacegroup name	P 1
Unit cell lengths	48.190, 48.500, 63.920
Unit cell angles	68.85, 81.78, 64.62

Refinement procedure

Resolution	8.000 - 2.100
R-factor	0.23 *
Rwork	0.230
R-free	0.23000
RMSD bond length	0.009
RMSD bond angle	22.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.170
High resolution limit [Å]	2.100	2.100
Rmerge	0.069	0.131
Number of reflections	24631
Completeness [%]	86.6	79.1
Redundancy	1.83	1.66

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	290	16-18% PEG 4000, 0.1M CACL2, PTEORIC ACID, VAPOR DIFFUSION, HANGING DROP, temperature 290K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15-20 (mg/ml)
2	1	reservoir	PEG4000	16-18 (%)
3	1	reservoir		0.1 (M)
4	1	reservoir	Tris-HCl	50 (mM)
5	1	reservoir	PTA		saturated