3LF5

Structure of Human NADH cytochrome b5 oxidoreductase (Ncb5or) b5 Domain to 1.25A Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-BM
Synchrotron site	APS
Beamline	17-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-21
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	38.480, 56.370, 42.560
Unit cell angles	90.00, 100.67, 90.00

Refinement procedure

Resolution	18.910 - 1.250
Rwork	0.147
R-free	0.17260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1eue
RMSD bond length	0.013
RMSD bond angle	1.477
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (refmac_5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000		1.280
High resolution limit [Å]	1.250	5.590	1.250
Rmerge	0.058	0.028	0.724
Number of reflections	48981	509	3431
<I/σ(I)>	13.02	33.4	1.9
Completeness [%]	99.0	87.5	93.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.2	277	2M ammonium sulfate, 0.1M Na/K phosphate, 0.2M lithium sulfate, pH 6.2, vapor diffusion, temperature 277K