3UFH

Crystal structure of UndA with Iron Citrate bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-07-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	69.880, 106.530, 151.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.630 - 2.230
R-factor	0.16545
Rwork	0.163
R-free	0.21078
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.541
Data reduction software	MOSFLM
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.480	2.290
High resolution limit [Å]	2.170	2.170
Rmerge		0.411
Number of reflections	59175
<I/σ(I)>	5.9	3.7
Completeness [%]	97.9	97
Redundancy	3.4	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	0.1M MES, 50 mM NaCl, 50 mM MgCl2, 15% PEG5000, 20% Glycerol, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K