1EPV

ALANINE RACEMASE WITH BOUND INHIBITOR DERIVED FROM D-CYCLOSERINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1999-11-01
Detector	RIGAKU RAXIS IV
Spacegroup name	P 21 21 21
Unit cell lengths	99.157, 90.243, 85.261
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 2.200
R-factor	0.206
Rwork	0.206
R-free	0.23100 *
RMSD bond length	0.020
RMSD bond angle	25.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.084	0.339
Total number of observations	218570 *
Number of reflections	39472 *
<I/σ(I)>	10.6
Completeness [%]	90.8	92.3
Redundancy	5.5	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	PEG 4000, sodium acetate, tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	22 (mg/ml)
2	1	reservoir	PEG4000	23 (%(w/v))
3	1	reservoir	sodium acetate	200 (mM)
4	1	reservoir	Tris	100 (mM)	pH8.5