3HRG

Crystal structure of Bacteroides thetaiotaomicron BT_3980, protein with actin-like ATPase fold and unknown function (NP_812891.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.85 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	2009-03-19
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97932,0.97918
Spacegroup name	P 21 21 2
Unit cell lengths	64.706, 91.181, 48.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.579 - 1.850
R-factor	0.195
Rwork	0.193
R-free	0.24000
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.730
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.579	29.579	1.920
High resolution limit [Å]	1.850	3.980	1.850
Rmerge	0.038	0.014	0.445
Number of reflections	25125	4672	4785
<I/σ(I)>	14.3	46	1.8
Completeness [%]	98.4	97.5	96
Redundancy	3.58

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	277	0.2000M K3Citrate, 20.0000% PEG-3350, No Buffer pH 8.3, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K