3PW3

Crystal structure of a cysteine protease (BDI_2249) from Parabacteroides distasonis ATCC 8503 at 2.23 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	2010-07-24
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	104.592, 137.810, 223.165
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.966 - 2.230
R-factor	0.1603
Rwork	0.159
R-free	0.18120
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.237
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.6.0093)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.966	29.966	2.310
High resolution limit [Å]	2.230	4.780	2.230
Rmerge	0.073	0.031	0.534
Number of reflections	154800	29501	30326
<I/σ(I)>	13.23	32.5	2.6
Completeness [%]	98.7	95.5	99.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	293	20.00% polyethylene glycol 3350, 0.2000M potassium sodium tartrate, No Buffer pH 7.2, Additive: 0.001 M zinc chloride, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K