2RAB

Structure of glutathione amide reductase from Chromatium gracile in complex with NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	120
Wavelength(s)	0.8015
Spacegroup name	P 41
Unit cell lengths	71.989, 71.989, 224.603
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.500
R-factor	0.18713
Rwork	0.185
R-free	0.23324
Structure solution method	used phases from 2R9Z directly
Starting model (for MR)	Native GAR structure PDB 2R9Z
RMSD bond length	0.008
RMSD bond angle	1.243
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CCP4 (package)
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.590
High resolution limit [Å]	2.500	2.500
Number of reflections	39321
<I/σ(I)>	16.57	2.1
Completeness [%]	96.3	98.1
Redundancy	2.81	2.79

Crystallization Conditions

crystal ID	method	pH	temperature	details
1