1O7J

Atomic resolution structure of Erwinia chrysanthemi L-asparaginase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	100
Detector technology	CCD
Collection date	2000-03-10
Detector	ADSC CCD
Spacegroup name	C 1 2 1
Unit cell lengths	106.380, 90.350, 127.590
Unit cell angles	90.00, 91.40, 90.00

Refinement procedure

Resolution	25.000 * - 1.000
R-factor	0.1098
R-free	0.12830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jsl
RMSD bond length	0.015
RMSD bond angle	0.031
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.040
High resolution limit [Å]	1.000	1.000
Rmerge	0.050	0.305
Total number of observations	1780326 *
Number of reflections	559626
<I/σ(I)>	24.2	3
Completeness [%]	87.6	75.1
Redundancy	3.2	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8 *		Miller, M., (1993) FEBS Lett., 328, 275. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	50 (%)	pH8-9
2	1	reservoir	CHES	0.1 (M)
3	1	reservoir	PEG400	2 (%(w/v))