1MDL

MANDELATE RACEMASE MUTANT K166R CO-CRYSTALLIZED WITH (R)-MANDELATE

Experimental procedure

Detector technology	AREA DETECTOR
Collection date	1992-11-12
Detector	SIEMENS
Spacegroup name	I 4 2 2
Unit cell lengths	125.320, 125.320, 106.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.850
R-factor	0.184 *
Rwork	0.184
RMSD bond length	0.019
RMSD bond angle	24.000 *
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	TNT

Data quality characteristics

	Overall
High resolution limit [Å]	1.850 *
Rmerge	0.110
Number of reflections	33438
Completeness [%]	90.5
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *		Mitra, B., (1995) Biochemistry, 34, 2777. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris	50 (mM)
2	1	drop		10 (mM)
3	1	drop	(S)-atrolactate	50 (mM)
4	1	drop	atrolactate	5 (mM)
5	1	reservoir		30 (%)
6	1	reservoir	acetone	3 (%(v/v))