5BMT

Crystal structure of an uncharacterized protein (PARMER_03598) from Parabacteroides merdae ATCC 43184 at 1.50 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-04
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97951
Spacegroup name	P 21 21 21
Unit cell lengths	57.750, 58.969, 165.462
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.212 - 1.500
R-factor	0.1671
Rwork	0.166
R-free	0.18610
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.060
Data reduction software	XDS
Data scaling software	XSCALE (November 3, 2014 BUILT=20141118)
Phasing software	SHELX
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.212	29.212	1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.059	0.034	0.800
Rmeas	0.069	0.040	0.936
Total number of observations	662500
Number of reflections	91355	17463	16232
<I/σ(I)>	12.12	30.1	1.8
Completeness [%]	99.8	99.5	99.3
Redundancy	3.796

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10.5	277	0.2M lithium sulfate, 2.0M ammonium sulfate, 0.1M CAPS pH 10.5