1R27

Crystal Structure of NarGH complex

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	298
Detector technology	CCD
Collection date	2003-04-13
Detector	ADSC QUANTUM 4
Wavelength(s)	1.7416, 1.7365, 1.4884
Spacegroup name	I 2 2 2
Unit cell lengths	127.401, 298.300, 296.853
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 * - 2.000
R-factor	0.204
Rwork	0.204
R-free	0.23000
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	0.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	DM
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000 *
High resolution limit [Å]	2.000
Rmerge	0.077 *	0.385 *
Total number of observations	1060308 *
Number of reflections	329239 *
Completeness [%]	88.3 *	83.3 *
Redundancy	3.2 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	20 *	PEG 1500, NaCl, MgCl2, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	20 *	PEG 1500, NaCl, MgCl2, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)	pH7.5
3	1	drop	OG	1 (%)
4	1	reservoir	PEG1500	9 (%)
5	1	reservoir		100 (mM)
6	1	reservoir		100 (mM)
7	1	reservoir	DMSO	5 (%)
8	1	reservoir	HEPES	0.1 (M)	pH7.5