4I8I

Crystal structure of a DUF4886 family protein (BACUNI_01406) from Bacteroides uniformis ATCC 8492 at 1.50 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	2012-10-18
Detector	ADSC QUANTUM 315
Wavelength(s)	0.918401,0.979263,0.979485
Spacegroup name	I 2 2 2
Unit cell lengths	69.695, 82.432, 90.113
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.222 - 1.500
R-factor	0.1524
Rwork	0.151
R-free	0.17620
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.570
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]	28.222	28.222	1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge		0.047	0.945
Total number of observations		3497	21618
Number of reflections	41834
<I/σ(I)>	10.8	12.8	0.8
Completeness [%]	100.0	98.7	99.9
Redundancy	7.1	6.6	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	0.2M calcium acetate, 20.0% polyethylene glycol 8000, 0.1M MES pH 6.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K