4ESN

Crystal structure of a DUF1312 family protein (RUMGNA_02503) from Ruminococcus gnavus ATCC 29149 at 2.20 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-01-13
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	39.854, 63.090, 67.526
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.580 - 2.200
R-factor	0.1833
Rwork	0.182
R-free	0.20700
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.170
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.580	28.580	2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge		0.061	0.695
Total number of observations		626	4772
Number of reflections	9044
<I/σ(I)>	11.5	10.2	1.1
Completeness [%]	99.5	90.3	99
Redundancy	7.1	5.5	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M ammonium nitrate 20.0% polyethylene glycol 3350, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K