1KKO

CRYSTAL STRUCTURE OF CITROBACTER AMALONATICUS METHYLASPARTATE AMMONIA LYASE

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-10-30
Detector	MARRESEARCH
Wavelength(s)	0.97963,0.97946,0.96863
Spacegroup name	C 2 2 2
Unit cell lengths	128.339, 237.362, 65.806
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	119.520 - 1.330
R-factor	0.174 *
Rwork	0.161
R-free	0.19800 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011 *
RMSD bond angle	1.400 *
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 *	1.360
High resolution limit [Å]	1.330 *	1.330
Rmerge	0.060	0.339
Number of reflections	245233
<I/σ(I)>	18.9	3.5
Completeness [%]	95.8 *	97.2
Redundancy	3.1	3.1

Crystallization Conditions

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