1DKW

CRYSTAL STRUCTURE OF TRIOSE-PHOSPHATE ISOMERASE WITH MODIFIED SUBSTRATE BINDING SITE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1999-03-20
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	46.570, 88.530, 56.220
Unit cell angles	90.00, 97.26, 90.00

Refinement procedure

Resolution	22.000 - 2.650
R-factor	0.186
Rwork	0.183
R-free	0.24200
RMSD bond length	0.013 *
Data reduction software	DENZO
Data scaling software	CCP4 ((TRUNCATE))
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.000	2.740
High resolution limit [Å]	2.600	2.650
Rmerge	0.087 *	0.181
Number of reflections	13258 *
<I/σ(I)>	8.7
Completeness [%]	92.9	73.4
Redundancy	3.6	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	5.5	277	1.0 M CITRIC ACID PH 6.5, 20% PEG6000, 2.5% T-BUTANOL, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium citrate	0.1 (M)
2	1	reservoir	tertiary butanol	5 (%)