4QAN

Crystal structure of a cystatin-like protein (RUMGNA_02398) from Ruminococcus gnavus ATCC 29149 at 2.10 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	PIXEL
Collection date	2014-03-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91837,0.9798,0.97917
Spacegroup name	P 21 21 21
Unit cell lengths	51.394, 109.013, 137.307
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.671 - 2.100
R-factor	0.1937
Rwork	0.191
R-free	0.24040
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.224
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.671		2.170
High resolution limit [Å]	2.100	4.510	2.100
Rmerge	0.085	0.027	0.829
Number of reflections	45198	8322	7603
<I/σ(I)>	11	37.6	1.5
Completeness [%]	96.2	94.1	93.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M magnesium formate, 20.0% polyethylene glycol 3350, The additive is 0.1 M Cesium Chloride, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K