3W5J

Crystal structure of GDP-bound NfeoB from Gallionella capsiferriformans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-24
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03320
Spacegroup name	P 21 21 21
Unit cell lengths	45.760, 84.040, 95.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.720 - 1.932
R-factor	0.1934
Rwork	0.191
R-free	0.23170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3iby
RMSD bond length	0.012
RMSD bond angle	1.306
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (MR)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.080	47.725	2.040
High resolution limit [Å]	1.930	6.110	1.930
Rmerge		0.061	0.796
Rmeas		0.067	0.860
Rpim		0.026	0.323
Total number of observations		6565	28347
Number of reflections	28390
<I/σ(I)>	9	18.3	2.6
Completeness [%]	100.0	99.9	100
Redundancy	7.1	6.4	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	289	0.2M Ammonium sulphate, 0.1M Bis-Tris pH 5.5, 25 % (w/v) PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 289K