4JQR

Crystal structure of a DUF4465 family protein (BACCAC_02373) from Bacteroides caccae ATCC 43185 at 2.05 A resolution

Experimental procedure

Experimental method	MAD
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	2012-11-21
Detector	ADSC QUANTUM 315
Wavelength(s)	0.918374,0.979415,0.979129
Spacegroup name	P 32 2 1
Unit cell lengths	98.573, 98.573, 69.284
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.249 - 2.050
R-factor	0.1657
Rwork	0.164
R-free	0.19080
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.020
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.249	29.249	2.100
High resolution limit [Å]	2.050	9.170	2.050
Rmerge		0.013	0.013
Total number of observations		2036	13114
Number of reflections	24729
<I/σ(I)>	10.7	30.8	1.8
Completeness [%]	100.0	97.4	100
Redundancy	7.2	6.6	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.33	277	1.3M ammonium sulfate, 0.1M sodium citrate - citric acid pH 4.33, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K