3W5I

Crystal structure of NfeoB from Gallionella capsiferriformans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.953
Spacegroup name	C 2 2 21
Unit cell lengths	100.683, 112.533, 97.866
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	75.030 - 2.150
R-factor	0.2238
Rwork	0.222
R-free	0.26160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3iby
RMSD bond length	0.009
RMSD bond angle	1.097
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	75.035	75.035	2.270
High resolution limit [Å]	2.150	6.800	2.150
Rmerge		0.030	0.717
Rmeas		0.033	0.772
Rpim		0.013	0.284
Total number of observations		6979	31462
Number of reflections	30386
<I/σ(I)>	14.8	41.8	2.7
Completeness [%]	99.5	99.3	99.2
Redundancy	7	6.6	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	289	1M Ammonium sulphate, 0.1M Bis-Tris pH 5.5, 1% (w/v) PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 289K