4OUQ

Crystal structure of a DUF4783 family protein (BF1468) from Bacteroides fragilis YCH46 at 1.55 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-03-11
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	40.467, 48.316, 49.322
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.965 - 1.550
R-factor	0.2009
Rwork	0.199
R-free	0.23910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.359
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	21.965	21.965	1.590
High resolution limit [Å]	1.550	6.930	1.550
Rmerge		0.029	0.645
Total number of observations		596	3142
Number of reflections	13967
<I/σ(I)>	9.2	23.2	1.6
Completeness [%]	96.4	93.3	97.7
Redundancy	3.2	3.3	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	277	30.0% polyethylene glycol 6000, 0.1M Bicine pH 9.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K