3DO6

Crystal structure of Putative Formyltetrahydrofolate Synthetase (TM1766) from THERMOTOGA MARITIMA at 1.85 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-05-01
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97932,0.97918
Spacegroup name	P 21 21 2
Unit cell lengths	107.630, 118.250, 93.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.566 - 1.850
R-factor	0.164
Rwork	0.162
R-free	0.19600
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.473
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.4.0069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.566		1.920
High resolution limit [Å]	1.850	3.980	1.850
Rmerge	0.079	0.024	0.674
Number of reflections	101930	19078	20067
<I/σ(I)>	8.78	28.9	1.4
Completeness [%]	98.5	96.1	96.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.51	277	32.5% 2-methyl-2,4-pentanediol, 0.1M TRIS pH 7.51, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K