4IPB

Crystal structure of a DUF2874 family protein (BACOVA_02504) from Bacteroides ovatus ATCC 8483 at 1.62 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)	0.918401, 0.979415, 0.979261
Spacegroup name	P 1 21 1
Unit cell lengths	41.265, 54.155, 60.120
Unit cell angles	90.00, 91.42, 90.00

Refinement procedure

Resolution	29.044 - 1.620
R-factor	0.1674
Rwork	0.166
R-free	0.20270
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.649
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	SHELX
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.044	29.044	1.660
High resolution limit [Å]	1.620	7.240	1.620
Rmerge		0.075	0.768
Total number of observations		1421	7131
Number of reflections	33727
<I/σ(I)>	7.9	4.5	0.9
Completeness [%]	99.7	98.6	96.7
Redundancy	3.6	3.5	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	12.0% polyethylene glycol 20000, 0.1M MES pH 6.5, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K