1H9X

Cytochrome cd1 Nitrite Reductase, reduced form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-06-06
Detector	MARRESEARCH
Spacegroup name	P 43 21 2
Unit cell lengths	127.970, 127.970, 264.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.100
R-factor	0.216 *
Rwork	0.216
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1aof D1 DOMAIN DIMER
RMSD bond length	0.009 *
RMSD bond angle	2.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.077	0.224
Number of reflections	126324
<I/σ(I)>	17.6	3.9
Completeness [%]	99.7	99.6
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9		HANGING DROP USING 2.1 M AMMONIUM SULPHATE AND 100 MM CHES PH 7.0 1 MM ASCORMBATE AND 2.5 UM PMS FROM REDUCTION OF PROTEIN WAS ALSO PRESENT IN CRYSTALLISATION.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15-20 (mg/ml)
2	1	drop	ascorbate	2 (mM)
3	1	drop	phenazine methosulphate	0.005 (mM)
4	1	reservoir	ammonium sulfate	2.0 (M)
5	1	reservoir	CHES	100 (mM)