2MNR

MECHANISM OF THE REACTION CATALYZED BY MANDELATE RACEMASE. 2. CRYSTAL STRUCTURE OF MANDELATE RACEMASE AT 2.5 ANGSTROMS RESOLUTION: IDENTIFICATION OF THE ACTIVE SITE AND POSSIBLE CATALYTIC RESIDUES

Experimental procedure

Spacegroup name	I 4 2 2
Unit cell lengths	125.000, 125.000, 106.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	5.000 * - 2.500 *
R-factor	0.183 *
Rwork	0.162
RMSD bond length	0.015 *
RMSD bond angle	0.053 *
Phasing software	X-PLOR
Refinement software	PROLSQ

Data quality characteristics

	Overall
Low resolution limit [Å]	9999.000 *
High resolution limit [Å]	2.500 *
Rmerge	0.064 *
Total number of observations	9494 *
Number of reflections	4799 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	40 (mg/ml)
2	1	drop	Tris-HCl	50 (mg/ml)
3	1	drop		10 (mg/ml)
4	1	drop		0.01 (%)
5	1	reservoir	ammonium sulfate	30 (%sat)