1OBL

crystal structure of the S133A mutant of Malonamidase E2 complexed with malonate from Bradyrhizobium japonicum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 6B
Synchrotron site	PAL/PLS
Beamline	6B
Temperature [K]	100
Detector technology	CCD
Spacegroup name	P 21 21 2
Unit cell lengths	103.629, 95.225, 74.981
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.000 - 2.000
R-factor	0.188
Rwork	0.188
R-free	0.24500
Structure solution method	DIRECT METHODS
Starting model (for MR)	1GR8
RMSD bond length	0.005
RMSD bond angle	1.271
Data reduction software	SMART
Data scaling software	PROSCALE
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	52.083
High resolution limit [Å]	2.000
Number of reflections	46861
<I/σ(I)>	7.16
Completeness [%]	92.1
Redundancy	5.07

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		20% POLYETHYLENE GLYCOL 1000, 0.1 M TRIS-HCL, PH 7.0