4I17

Crystal structure of a TPR repeats protein (BF2334) from Bacteroides fragilis NCTC 9343 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	2012-09-19
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979111,0.979338,0.953725
Spacegroup name	P 21 21 21
Unit cell lengths	59.233, 60.576, 61.033
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.153 - 1.830
R-factor	0.1624
Rwork	0.161
R-free	0.18110
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	0.940
Data reduction software	XDS
Data scaling software	XSCALE (March 15, 2012)
Phasing software	SHELX
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.153		1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.048	0.029	0.841
Number of reflections	33966	6077	5487
<I/σ(I)>	13.65	39.9	2
Completeness [%]	94.6	88.3	85.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.43	293	2.6M ammonium sulfate, 0.1M MES pH 5.43, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K