3UP9

Crystal structure of a putative lipoprotein (ACTODO_00931) from Actinomyces odontolyticus ATCC 17982 at 2.35 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-09-09
Detector	ADSC QUANTUM 315
Spacegroup name	I 41
Unit cell lengths	95.917, 95.917, 93.781
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.722 - 2.350
R-factor	0.1589
Rwork	0.157
R-free	0.20480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tqw
RMSD bond length	0.017
RMSD bond angle	1.963
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHENIX
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.722	29.722	2.410
High resolution limit [Å]	2.350	10.510	2.350
Rmerge		0.037	0.959
Total number of observations		965	6417
Number of reflections	17718
<I/σ(I)>	7.8	18.5	0.8
Completeness [%]	99.9	95.4	100
Redundancy	4.9	4.8	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	20.00% polyethylene glycol 1000, 0.1M TRIS pH 7.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K