3K53

Crystal Structure of NFeoB from P. furiosus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Detector technology	CCD
Collection date	2007-06-17
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	55.256, 106.108, 253.892
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.700
R-factor	0.23
Rwork	0.230
R-free	0.28600
Structure solution method	SAD
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.048	0.595
Number of reflections	98053
<I/σ(I)>	17.9
Completeness [%]	98.8	90.5
Redundancy	2.5	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5	296	sodium acetate, PEG 1000, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 296K