1G8W

IMPROVED STRUCTURE OF PHYTOHEMAGGLUTININ-L FROM THE KIDNEY BEAN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	298
Detector technology	DIFFRACTOMETER
Collection date	1995-08-01
Detector	ENRAF-NONIUS FAST
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	106.479, 121.278, 89.957
Unit cell angles	90.00, 93.18, 90.00

Refinement procedure

Resolution	20.000 - 2.800
R-factor	0.181
Rwork	0.181
R-free	0.21200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1LES (lentil lectin)
RMSD bond length	0.008
RMSD bond angle	1.600
Data reduction software	MADNESS
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.107
Total number of observations	105939 *
Number of reflections	26546 *
<I/σ(I)>	11.23	3.2
Completeness [%]	94.4	82.1
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6 *	293	5 mg/ml protein; 100 mM TRIS/HCl; 8% (w/v) PEG(6000), pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	protein	5-7 (mg/ml)
2	1	reservoir	sodium citrate	100 (mM)
3	1	reservoir	PEG6000	8-12 (%(w/v))
4	1	reservoir		0.2-0.4 (M)