3U7Z

Crystal structure of a putative metal binding protein RUMGNA_00854 (ZP_02040092.1) from Ruminococcus gnavus ATCC 29149 at 1.30 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	2011-06-23
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 1
Unit cell lengths	29.685, 30.474, 47.156
Unit cell angles	73.13, 83.79, 89.30

Refinement procedure

Resolution	29.504 - 1.300
R-factor	0.1404
Rwork	0.138
R-free	0.18870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bb6
RMSD bond length	0.017
RMSD bond angle	1.714
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.504	29.504	1.330
High resolution limit [Å]	1.300	5.810	1.300
Rmerge		0.047	0.589
Total number of observations		983	6754
Number of reflections	36776
<I/σ(I)>	7.9	12.2	1.2
Completeness [%]	95.0	91.2	92.2
Redundancy	2.5	2.5	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.9	293	34.0% polyethylene glycol 400, 0.20M calcium acetate, 0.1M HEPES pH 7.9, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K