1C7Q

THE CRYSTAL STRUCTURE OF PHOSPHOGLUCOSE ISOMERASE/AUTOCRINE MOTILITY FACTOR/NEUROLEUKIN COMPLEXED WITH ITS CARBOHYDRATE PHOSPHATE INHIBITORS AND ITS SUBSTRATE RECOGNITION MECHANISM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1998-08-01
Detector	RIGAKU
Spacegroup name	I 2 2 2
Unit cell lengths	74.940, 93.640, 171.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.300
R-factor	0.172
Rwork	0.172
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pgi
RMSD bond length	0.010
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.650	2.440
High resolution limit [Å]	2.300	2.300
Rmerge	0.075	0.316
Total number of observations	109736 *
Number of reflections	30710
<I/σ(I)>	15	3.2
Completeness [%]	98.6	98 *
Redundancy	3.57	3.49

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *		0.1M HEPES PH 7.5, 0.8M K, NA TARTRATE

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	drop	potassium phosphate	50 (mM)
3	1	reservoir	potassium sodium tartrate	0.8 (M)
4	1	reservoir	HEPES	0.1 (M)