1JNI

Structure of the NapB subunit of the periplasmic nitrate reductase from Haemophilus influenzae.

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID13
Synchrotron site	ESRF
Beamline	ID13
Temperature [K]	173
Detector technology	CCD
Collection date	2000-08-14
Detector	MARRESEARCH
Wavelength(s)	0.9640
Spacegroup name	P 4 21 2
Unit cell lengths	78.752, 78.752, 29.047
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.250
R-factor	0.1596
Rwork	0.170
R-free	0.21650 *
Structure solution method	MAD
RMSD bond length	0.013 *
RMSD bond angle	2.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	1.300
High resolution limit [Å]	1.250 *	1.250 *
Rmerge	0.089	0.316
Total number of observations	214619 *
Number of reflections	22337
<I/σ(I)>	17	1.37
Completeness [%]	84.4	65.47 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5 *	277 *	Brige, A., (2001) Acta Crystallogr, D57, 418. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	PEG8000	20 (%)
3	1	reservoir	magnesium acetate tetrahydrate	0.2 (M)
4	1	reservoir	sodium cacodylate	0.1 (M)	pH6.5
5	1	reservoir	potassium sodium tartrate tetrahydrate	0.8 (M)
6	1	reservoir	sodium HEPES	0.1 (M)	pH7.5