1MDR

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	125.150, 125.150, 105.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.100
R-factor	0.151
Rwork	0.151
RMSD bond length	0.016
RMSD bond angle	23.700 *
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
High resolution limit [Å]	2.100 *
Rmerge	0.081 *
Total number of observations	89227 *
Number of reflections	9974 *
Completeness [%]	85.0 *
Redundancy	3.7 *

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)