1JSR

CRYSTAL STRUCTURE OF ERWINIA CHRYSANTHEMI L-ASPARAGINASE COMPLEXED WITH 6-HYDROXY-L-NORLEUCINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-08-15
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	106.065, 90.361, 127.406
Unit cell angles	90.00, 91.35, 90.00

Refinement procedure

Resolution	20.000 - 1.700
R-factor	0.183 *
Rwork	0.182
R-free	0.21000 *
Structure solution method	isomorphous replacement
Starting model (for MR)	PDB CODE 1HG0
RMSD bond length	0.006
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	1.690
High resolution limit [Å]	1.650	1.650
Rmerge	0.100	0.430
Total number of observations	323188 *
Number of reflections	135872
<I/σ(I)>	9.9	2.3
Completeness [%]	93.8	91.1
Redundancy	2.38	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	293	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))