2Q30

Crystal structure of a rmlc-like cupin protein (dde_2303) from desulfovibrio desulfuricans subsp. at 1.94 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2006-09-10
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	43.140, 133.950, 74.660
Unit cell angles	90.00, 93.04, 90.00

Refinement procedure

Resolution	29.025 - 1.940
R-factor	0.169
Rwork	0.167
R-free	0.21200
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.791
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.025	29.025	2.010
High resolution limit [Å]	1.940	4.170	1.940
Rmerge	0.060	0.032	0.317
Number of reflections	60310	10983	7201
<I/σ(I)>	8.45	16.7	2.5
Completeness [%]	81.5	87.1	57

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	NANODROP, 35.0% PEG 3000, 0.2M Sodium chloride, 0.1M Tris-HCl pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
2	VAPOR DIFFUSION, SITTING DROP	8	293	NANODROP, 40.0% PEG 3000, 0.2M Sodium chloride, 0.1M Tris-HCl pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K