4IE7

Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with citrate and rhein (RHN)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-12-02
Detector	PSI PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	H 3
Unit cell lengths	141.624, 141.624, 85.599
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.861 - 2.600
Rwork	0.174
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lfm
RMSD bond length	0.012
RMSD bond angle	1.250
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.2)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.690
High resolution limit [Å]	2.600	5.600	2.600
Rmerge	0.098	0.097	0.353
Number of reflections	19675
<I/σ(I)>	13.3	13.1	4.4
Completeness [%]	99.9	99.8	99.9
Redundancy	4.9	4.5	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	11.5% PEG 3350, 100mM trisodium citrate pH5.6, 4% tert-butanol, 1mM ZnSO4, 2mM RHN, VAPOR DIFFUSION, HANGING DROP, temperature 293K