1DTN

MANDELATE RACEMASE MUTANT D270N CO-CRYSTALLIZED WITH (S)-ATROLACTATE

Experimental procedure

Detector technology	AREA DETECTOR
Collection date	1992-06-03
Detector	SIEMENS
Spacegroup name	I 4 2 2
Unit cell lengths	125.500, 125.500, 107.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.171 *
Rwork	0.171
RMSD bond length	0.010
RMSD bond angle	2.200
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	X-PLOR
Refinement software	TNT

Data quality characteristics

	Overall
Rmerge	0.130
Number of reflections	24924
Completeness [%]	85.3
Redundancy	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *

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	E317Q	13 (mg/ml)
5	1	drop	atrolactate	5 (mM)
6	1	reservoir		30 (%)
7	1	reservoir	acetone	3 (%(v/v))