1OBI

Crystal structure of the G130A 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	103.728, 94.762, 74.698
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 2.200
R-factor	0.172
Rwork	0.172
R-free	0.21200 *
Structure solution method	DIRECT METHODS
Starting model (for MR)	1GR8
RMSD bond length	0.005
RMSD bond angle	1.244 *
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
Rmerge	0.066 *	0.254 *
Total number of observations	712191 *
Number of reflections	38209
<I/σ(I)>	15	3
Completeness [%]	90.7	79.3
Redundancy	4	2.5

Crystallization Conditions

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

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG1000	20 (%)
3	1	reservoir	Tris-HCl	0.1 (M)	pH7.0