4GTF

T. Maritima FDTS (H53A mutant) with FAD, dUMP and Folate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-02-27
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.9809
Spacegroup name	I 41 2 2
Unit cell lengths	109.810, 109.810, 122.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.820 - 1.770
R-factor	0.16266
Rwork	0.162
R-free	0.17812
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB Code: 1O26
RMSD bond length	0.013
RMSD bond angle	1.723
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.820
High resolution limit [Å]	1.770	1.770
Rmerge	0.060	0.969
Number of reflections	36610
<I/σ(I)>	23.3	2.7
Completeness [%]	99.9	100
Redundancy	9.1	9.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.58	295	3-6% PEG 4K (w/v), 200mM NaCl, 100 mM Na/K phosphate (pH 6.58), VAPOR DIFFUSION, HANGING DROP, temperature 295K