3NOH

Crystal structure of a putative peptide binding protein (RUMGNA_00914) from Ruminococcus gnavus ATCC 29149 at 1.60 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	2010-06-10
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97917,0.97874
Spacegroup name	P 31 2 1
Unit cell lengths	62.963, 62.963, 52.978
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.264 - 1.600
R-factor	0.1612
Rwork	0.160
R-free	0.19560
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.598
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]	27.264	27.264	1.660
High resolution limit [Å]	1.600	3.440	1.600
Rmerge	0.034	0.018	0.628
Number of reflections	16202	3089	3193
<I/σ(I)>	20.91	60.6	2.5
Completeness [%]	98.8	98.6	97.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	277	2.400000000M (NH4)2SO4, 0.1M Citrate pH 5.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K