3LOU

Crystal structure of Formyltetrahydrofolate deformylase (YP_105254.1) from BURKHOLDERIA MALLEI ATCC 23344 at 1.90 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	2009-07-31
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97922
Spacegroup name	P 1 21 1
Unit cell lengths	74.628, 93.476, 98.802
Unit cell angles	90.00, 95.29, 90.00

Refinement procedure

Resolution	29.488 - 1.900
R-factor	0.187
Rwork	0.185
R-free	0.22100
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.310
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.488	29.488	1.970
High resolution limit [Å]	1.900	4.080	1.900
Rmerge	0.069	0.033	0.554
Number of reflections	105637	20337	20680
<I/σ(I)>	7.73	20.2	1.5
Completeness [%]	98.0	96.1	95.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	0.2000M Li2SO4, 10.0000% PEG-3000, 0.1M Imidazole pH 8.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K