1OBK

crystal structure of the R158Q mutant of Malonamidase E2 from Bradyrhizobium japonicum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU IMAGE PLATE
Spacegroup name	P 21 21 2
Unit cell lengths	103.876, 95.408, 74.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.177
Rwork	0.177
R-free	0.25100
Structure solution method	DIRECT METHODS
Starting model (for MR)	1GR8
RMSD bond length	0.005
RMSD bond angle	1.237
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	2.280
High resolution limit [Å]	2.200	2.200
Number of reflections	38625
<I/σ(I)>	11.24	3
Completeness [%]	93.2	85.5
Redundancy	5	3

Crystallization Conditions

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