3SOT

Crystal structure of a Multidomain protein including DUF1735 (BACOVA_03322) from Bacteroides ovatus at 2.80 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-07
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	C 1 2 1
Unit cell lengths	90.471, 123.339, 189.524
Unit cell angles	90.00, 99.28, 90.00

Refinement procedure

Resolution	29.966 - 2.800
R-factor	0.2041
Rwork	0.203
R-free	0.22910
Structure solution method	MOLECULAR REPLACEMENT + SAD
Starting model (for MR)	3nqk
RMSD bond length	0.010
RMSD bond angle	1.140
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	PHASER
Refinement software	BUSTER-TNT (2.8.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.966	29.966	2.870
High resolution limit [Å]	2.800	12.520	2.800
Rmerge		0.060	0.653
Total number of observations		1402	9616
Number of reflections	49939
<I/σ(I)>	5.4	9.1	1.2
Completeness [%]	98.9	89.4	99.6
Redundancy	2.7	2.7	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.7	277	0.2M MgAcetate, 20.00% PEG-3350, No Buffer, pH 7.7, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K