4ECG

Crystal structure of a putative iron-regulated protein A precursor (BDI_2603) from Parabacteroides distasonis ATCC 8503 at 2.30 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-01-13
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97949
Spacegroup name	I 41
Unit cell lengths	113.892, 113.892, 75.219
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.124 - 2.300
R-factor	0.1632
Rwork	0.162
R-free	0.19270
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.697
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]	29.124		2.380
High resolution limit [Å]	2.300	4.930	2.300
Rmerge	0.044	0.022	0.486
Number of reflections	21402	4104	3936
<I/σ(I)>	11.97	29.3	1.8
Completeness [%]	98.1	96.1	96.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	40.00% polyethylene glycol 400, 0.200M calcium acetate, 0.1M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K