4IB2

Crystal structure of a putative lipoprotein (RUMGNA_00858) from Ruminococcus gnavus ATCC 29149 at 1.76 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-09
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 1
Unit cell lengths	40.099, 52.454, 54.908
Unit cell angles	99.81, 87.50, 94.96

Refinement procedure

Resolution	40.876 - 1.760
R-factor	0.163
Rwork	0.162
R-free	0.18440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.050
Data reduction software	XDS
Data scaling software	XSCALE (January 30, 2009)
Phasing software	PHASER (2.3.0)
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.876		1.820
High resolution limit [Å]	1.760	3.780	1.760
Rmerge	0.059	0.020	0.562
Number of reflections	41851	4319	3914
<I/σ(I)>	16.9	51.8	2.4
Completeness [%]	96.1	98	93.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	277	0.8M (NH4)2SO4, 0.1M Citrate pH 4.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K