1OCH

Crystal structure of the S155C 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	103.606, 94.985, 74.921
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.800
R-factor	0.194
Rwork	0.194
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1GR8
RMSD bond length	0.005
RMSD bond angle	1.252
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	1.860
High resolution limit [Å]	1.800	1.800
Number of reflections	69397
<I/σ(I)>	15.6	2.3
Completeness [%]	93.3	80.5
Redundancy	2.8	1.2

Crystallization Conditions

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