4QRK

Crystal structure of a putative cell adhesion protein (CLOSPO_03726) from Clostridium sporogenes ATCC 15579 at 1.95 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	2014-05-08
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.95369,0.97939,0.97920
Spacegroup name	P 61
Unit cell lengths	72.348, 72.348, 109.470
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	62.656 - 1.950
R-factor	0.1668
Rwork	0.165
R-free	0.20640
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.548
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	SOLVE
Refinement software	PHENIX (1.8.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	62.656	62.656	2.000
High resolution limit [Å]	1.950	8.720	1.950
Rmerge		0.062	0.820
Total number of observations		1260	8184
Number of reflections	23708
<I/σ(I)>	7.4	8.3	0.9
Completeness [%]	100.0	99.8	100
Redundancy	4.7	4.5	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.16M calcium acetate, 20.0% Glycerol, 14.4000% polyethylene glycol 8000, 0.1M sodium cacodylate pH 6.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K