1MNS

ON THE ROLE OF LYSINE 166 IN THE MECHANISM OF MANDELATE RACEMASE FROM PSEUDOMONAS PUTIDA: MECHANISTIC AND CRYSTALLOGRAPHIC EVIDENCE FOR STEREOSPECIFIC ALKYLATION BY (R)-ALPHA-PHENYLGLYCIDATE

Experimental procedure

Spacegroup name	I 4 2 2
Unit cell lengths	125.000, 125.000, 105.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 * - 2.000
R-factor	0.153
Rwork	0.153
RMSD bond length	0.015
RMSD bond angle	2.600
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
High resolution limit [Å]	2.000 *
Rmerge	0.075 *
Total number of observations	62094 *
Completeness [%]	83.0 *
Redundancy	2.6 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8 *		taken from Neidhart, D.J. et al (1991). Biochemistry, 30, 9264-9273. *

Crystallization Reagents in Literatures

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