3L22

CRYSTAL STRUCTURE OF A SUSD SUPERFAMILY PROTEIN (BF_0597) FROM BACTEROIDES FRAGILIS AT 2.05 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-08-03
Detector	ADSC QUANTUM 315
Wavelength(s)	0.978930,0.979373,0.918370
Spacegroup name	P 43 2 2
Unit cell lengths	94.034, 94.034, 201.581
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.412 - 2.050
R-factor	0.148
Rwork	0.146
R-free	0.17100
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.600
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.412	29.412	2.120
High resolution limit [Å]	2.050	4.400	2.050
Rmerge	0.104	0.032	0.784
Number of reflections	57591	10974	10104
<I/σ(I)>	11.52	33.6	1.8
Completeness [%]	99.5	99.4	97.2
Redundancy	7.12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.33	277	0.2000M zinc acetate, 22.5000% Ethanol, 0.1M MES pH 6.33, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K