1QDB

CYTOCHROME C NITRITE REDUCTASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	100
Detector technology	CCD
Collection date	1998-04-12
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	107.484, 185.344, 92.192
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 1.900
Rwork	0.184
R-free	0.22000
RMSD bond length	0.011
RMSD bond angle	1.415
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.105	0.381
Number of reflections	927556
<I/σ(I)>	16.7
Completeness [%]	98.9	84.1
Redundancy	6.5	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	PEG 8000, AMMONIUM SULFATE, HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	40 (mg/ml)
2	1	reservoir	PEG6000	2 (%)
3	1	reservoir	HEPES-NaOH	0.1 (M)