1DL3

CRYSTAL STRUCTURE OF MUTUALLY GENERATED MONOMERS OF DIMERIC PHOSPHORIBOSYLANTRANILATE ISOMERASE FROM THERMOTOGA MARITIMA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1998-05-18
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	90.680, 94.650, 46.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.700
R-factor	0.175 *
Rwork	0.175
R-free	0.28200
RMSD bond length	0.007 *
RMSD bond angle	1.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.700	2.700 *
Rmerge	0.076	0.317 *
Total number of observations	51809 *
Number of reflections	11375
<I/σ(I)>	8.2
Completeness [%]	99.2	98.7 *
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5		1 MM EDTA 0.5 MM DTT 0.1 M HEPES/NAOH 16.7 MG/ML PROTEIN 0.75 M POTASSIUM DIHYDROGEN PHOSPHATE 0.75 M SODIUM DIHYDROGEN PHOSPHATE, pH 7.5, VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	16.7 (mg/ml)
2	1	drop	potassium phosphate	20 (mM)
3	1	drop	EDTA	1 (mM)
4	1	drop	dithiothreitol	0.5 (mM)
5	1	reservoir	potassium dihydrogen phosphate	0.75 (M)
6	1	reservoir	sodium dihydrogen phosphate	0.75 (M)
7	1	reservoir	HEPES-NaOH	0.1 (M)