4JM1

Crystal structure of a protein with alpha-lytic protease prodomain-like fold (BDI_0842) from Parabacteroides distasonis ATCC 8503 at 1.40 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-02-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97917,0.88557,0.97849
Spacegroup name	P 21 21 21
Unit cell lengths	37.405, 45.673, 48.105
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.529 - 1.400
R-factor	0.1309
Rwork	0.129
R-free	0.16790
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.416
Data reduction software	XDS
Data scaling software	XSCALE (July 4, 2012)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.529		1.450
High resolution limit [Å]	1.400	3.010	1.400
Rmerge	0.045	0.021	0.513
Number of reflections	16677	3005	3066
<I/σ(I)>	11.89	32.3	1.9
Completeness [%]	97.3	94.9	97.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	8.0% ethylene glycol, 20.0% polyethylene glycol 10000, 0.1M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K