4R7S

Crystal structure of a tetratricopeptide repeat protein (PARMER_03812) from Parabacteroides merdae ATCC 43184 at 2.39 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-05-23
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.95369,0.97937,0.97922
Spacegroup name	P 21 21 21
Unit cell lengths	39.676, 72.540, 109.341
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.676 - 2.390
R-factor	0.1922
Rwork	0.190
R-free	0.24490
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.000
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.676		2.480
High resolution limit [Å]	2.390	5.120	2.390
Rmerge	0.077	0.037	0.606
Rmeas		0.042	0.680
Number of reflections	13045	1452	1345
<I/σ(I)>	13.27	30.1	2.4
Completeness [%]	99.3	99	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2M sodium nitrate 20.0% polyethylene glycol 3350, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K