1OCL

THE CRYSTAL STRUCTURE OF MALONAMIDASE E2 COMPLEXED WITH MALONATE FROM BRADYRHIZOBIUM JAPONICUM

Replaces:  1GR9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU ULTRAX 18
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU IMAGE PLATE
Spacegroup name	P 21 21 2
Unit cell lengths	103.821, 94.940, 74.783
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.196
Rwork	0.196
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1GR8
RMSD bond length	0.005
RMSD bond angle	1.258
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.070
High resolution limit [Å]	2.000	2.000
Number of reflections	48851
<I/σ(I)>	28.4	6.1
Completeness [%]	96.4	91.3
Redundancy	4.5	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		20% PEG1000, 0.1M TRIS-HCL PH7.0, 15MM MALONATE, pH 7.00