3FJS

CRYSTAL STRUCTURE OF A PUTATIVE BIOSYNTHETIC PROTEIN WITH RMLC-LIKE CUPIN FOLD (REUT_B4087) FROM RALSTONIA EUTROPHA JMP134 AT 1.90 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	2008-11-13
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97876,0.97843
Spacegroup name	P 21 21 21
Unit cell lengths	63.111, 64.027, 97.344
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.940 - 1.900
R-factor	0.18
Rwork	0.179
R-free	0.21700
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.782
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.940	28.940	1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.092	0.044	0.509
Total number of observations		1316	8859
Number of reflections	31808
<I/σ(I)>	6.198	13.9	1.5
Completeness [%]	100.0	97	100
Redundancy	3.8	3.2	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	70.0000% MPD, 0.1M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K