3OBI

Crystal structure of a formyltetrahydrofolate deformylase (NP_949368) from RHODOPSEUDOMONAS PALUSTRIS CGA009 at 1.95 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	2010-05-13
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.90497,0.97939,0.97915
Spacegroup name	P 1 21 1
Unit cell lengths	70.048, 141.111, 77.563
Unit cell angles	90.00, 107.83, 90.00

Refinement procedure

Resolution	29.673 - 1.950
R-factor	0.2358
Rwork	0.234
R-free	0.27800
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.663
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.673	29.673	2.000
High resolution limit [Å]	1.950	8.720	1.950
Rmerge		0.055	0.583
Total number of observations		4291	25251
Number of reflections	101081
<I/σ(I)>	6.6	8.7	1.3
Completeness [%]	97.2	97.4	94.1
Redundancy	3.5	3.7	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	20.0% polyethylene glycol 8000, 0.3M calcium acetate, 0.1M sodium cacodylate pH 7.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K