3NO2

Crystal structure of a protein of unknown function (BACCAC_01654) from Bacteroides caccae at 1.35 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-08
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97941,0.97894
Spacegroup name	P 21 21 21
Unit cell lengths	46.173, 63.798, 105.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.993 - 1.350
R-factor	0.1475
Rwork	0.147
R-free	0.15950
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.617
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.993		1.400
High resolution limit [Å]	1.350	2.910	1.350
Rmerge	0.058	0.025	0.505
Rmeas	0.075	0.032	0.657
Total number of observations	297194
Number of reflections	68533	13079	13087
<I/σ(I)>	10.61	31.6	1.9
Completeness [%]	97.7	98.7	95.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	40.000000000% PEG-600, 0.1M Citrate pH 5.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K, VAPOR DIFFUSION, SITTING DROP