4MJG

Crystal structure of a DUF4853 family protein (ACTODO_00621) from Actinomyces odontolyticus ATCC 17982 at 2.65 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	2013-08-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91837,0.97941,0.97868
Spacegroup name	P 32 2 1
Unit cell lengths	97.080, 97.080, 105.044
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.544 - 2.650
R-factor	0.2351
Rwork	0.234
R-free	0.26090
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	1.023
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	SHELX
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.544	44.544	2.720
High resolution limit [Å]	2.650	11.850	2.650
Rmerge		0.042	0.811
Total number of observations		570	3833
Number of reflections	15164
<I/σ(I)>	9.2	10.5	0.9
Completeness [%]	88.9	86.4	95.3
Redundancy	3.2	2.8	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	2.4M ammonium sulfate, 0.1M Bicine pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K