1GAR

TOWARDS STRUCTURE-BASED DRUG DESIGN: CRYSTAL STRUCTURE OF A MULTISUBSTRATE ADDUCT COMPLEX OF GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE AT 1.96 ANGSTROMS RESOLUTION

Experimental procedure

Detector technology	AREA DETECTOR
Collection date	1991
Detector	MULTIWIRE AREA DETECTOR
Spacegroup name	P 1 21 1
Unit cell lengths	75.700, 73.300, 35.500
Unit cell angles	90.00, 94.30, 90.00

Refinement procedure

Resolution	6.000 - 1.960
R-factor	0.168
Rwork	0.168
R-free	0.29000
RMSD bond length	0.013
RMSD bond angle	25.200 *
Data reduction software	XDS
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
High resolution limit [Å]	1.960 *
Rmerge	0.054 *
Total number of observations	47736 *
Number of reflections	22588
Completeness [%]	84.0
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.5 *	22.5 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	Tris-HCl	50 (mM)
3	1	drop	inhibitor	10 (mg/ml)
4	1	reservoir	imidazole malate	0.2 (M)
5	1	reservoir	PEG4000	20 (%(w/v))