1KKR

CRYSTAL STRUCTURE OF CITROBACTER AMALONATICUS METHYLASPARTATE AMMONIA LYASE CONTAINING (2S,3S)-3-METHYLASPARTIC ACID

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-06-20
Detector	MARRESEARCH
Wavelength(s)	1.54179
Spacegroup name	C 2 2 2
Unit cell lengths	129.537, 238.933, 66.269
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.000 - 2.100
R-factor	0.167 *
Rwork	0.177
R-free	0.22700 *
RMSD bond length	0.045 *
RMSD bond angle	2.000 *
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.000	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.056	0.218
Number of reflections	60480
<I/σ(I)>	18.2	5.1
Completeness [%]	93.4 *	91.6
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	290	Levy, C.W., (2001) Acta Crystallogr., D57, 1922. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	13 (mg/ml)
2	1	reservoir	potassium phosphate	0.1 (M)	pH8.0
3	1	reservoir	ammonium sulfate	32 (%)