3S25

Crystal structure of a 7-bladed beta-propeller-like protein (EUBREC_1955) from Eubacterium rectale ATCC 33656 at 1.88 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-31
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.96109,0.97929,0.97907
Spacegroup name	I 4
Unit cell lengths	118.649, 118.649, 53.892
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.949 - 1.880
R-factor	0.1595
Rwork	0.158
R-free	0.18290
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.473
Data reduction software	XDS
Data scaling software	SCALA (3.3.15)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.949	41.949	1.980
High resolution limit [Å]	1.880	5.950	1.880
Rmerge		0.018	0.406
Total number of observations		3659	17787
Number of reflections	30369
<I/σ(I)>	24.9	36.6	1.9
Completeness [%]	99.5	95.2	98.6
Redundancy	4.1	3.8	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	20.0% polyethylene glycol 6000, 0.1M MES pH 6.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K