3NRL

Crystal Structure of protein RUMGNA_01417 from Ruminococcus gnavus, Northeast Structural Genomics Consortium Target UgR76

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-07
Detector	MAR CCD 165 mm
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	40.581, 53.072, 76.477
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.240 - 1.900
R-factor	0.219
Rwork	0.218
R-free	0.26300
Structure solution method	SAD
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELX (then SOLVE/RESOLVE)
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.059	0.365
Number of reflections	24739
<I/σ(I)>	29	3.1
Completeness [%]	98.4	91.2
Redundancy	4.3	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5) . Reservoir solution: 0.1M Cacodylate Acid (pH 6.5), 18% PEG3350, and 0.2M ammonium sulfate., VAPOR DIFFUSION, HANGING DROP, temperature 291K