4EI0

Crystal structure of a DUF4466 family protein (PARMER_03218) from Parabacteroides merdae ATCC 43184 at 2.00 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-03-10
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	62.749, 85.879, 128.695
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.469 - 2.000
R-factor	0.1764
Rwork	0.174
R-free	0.21610
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.702
Data reduction software	XDS
Data scaling software	XSCALE (December 29, 2011)
Phasing software	SHELX
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.469		2.070
High resolution limit [Å]	2.000	4.300	2.000
Rmerge	0.070	0.029	0.706
Number of reflections	47406	8838	8642
<I/σ(I)>	9.67	27.4	1.6
Completeness [%]	97.8	96.5	97.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	277	5.0% Glycerol, 19.0% polyethylene glycol 4000, 19.0% 2-propanol, 0.1M sodium citrate pH 5.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K