4M8R

Crystal structure of a DUF4784 family protein (BACCAC_01631) from Bacteroides caccae ATCC 43185 at 2.50 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	2013-01-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91837,0.97941,0.97871
Spacegroup name	P 61 2 2
Unit cell lengths	123.084, 123.084, 269.910
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.739 - 2.500
R-factor	0.2025
Rwork	0.202
R-free	0.22180
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	1.355
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]	33.739	33.739	2.560
High resolution limit [Å]	2.500	11.180	2.500
Total number of observations		7673	42982
Number of reflections	42660
<I/σ(I)>	13.2	36.1	1.6
Completeness [%]	99.9	96.2	100
Redundancy	14.1	13.5	13.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	293	2.00M ammonium sulfate, 0.00100M GSH (L-Glutathione reduced), GSSG (L-Glutathione oxidized), 0.1M phosphate-citrate pH 4.2, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K