4ICI

Crystal structure of a putative flavoprotein (BACEGG_01620) from Bacteroides eggerthii DSM 20697 at 1.40 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)	0.918401,0.979493,0.979199
Spacegroup name	I 41
Unit cell lengths	85.625, 85.625, 58.134
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.067 - 1.400
R-factor	0.1163
Rwork	0.115
R-free	0.14680
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.622
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	SOLVE
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.067	29.067	1.440
High resolution limit [Å]	1.400	6.260	1.400
Rmerge		0.046	0.689
Total number of observations		1843	11478
Number of reflections	40475
<I/σ(I)>	9.2	21.9	2.2
Completeness [%]	98.4	92.2	99.5
Redundancy	3.9	4.2	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	1.40M tri-Sodium Citrate, 0.1M sodium HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K