3UP5

Crystal Structure of OTEMO complex with FAD and NADP (form 4)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-09-20
Detector	RAYONIX MX-300
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	66.837, 94.394, 93.135
Unit cell angles	90.00, 102.38, 90.00

Refinement procedure

Resolution	48.353 - 2.453
R-factor	0.1874
Rwork	0.185
R-free	0.23610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3uoy
RMSD bond length	0.019
RMSD bond angle	1.842
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	90.968	90.968	2.540
High resolution limit [Å]	2.453	5.280	2.453
Rmerge	0.097	0.048	0.349
Number of reflections	39964
<I/σ(I)>	9.2
Completeness [%]	96.6	91.5	98.2
Redundancy	2.7	2.8	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	22% PEG3350, 0.1 M sodium/potassium phosphate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K