2RDC

CRYSTAL STRUCTURE OF A PUTATIVE LIPID BINDING PROTEIN (GSU0061) FROM GEOBACTER SULFURREDUCENS PCA AT 1.80 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-08-31
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000, 0.9797, 0.9796
Spacegroup name	C 2 2 21
Unit cell lengths	49.190, 116.250, 97.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.050 - 1.800
R-factor	0.194
Rwork	0.193
R-free	0.22400
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.405
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.3.0040)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.050	29.050	1.860
High resolution limit [Å]	1.800	3.870	1.800
Rmerge	0.042	0.016	0.644
Number of reflections	26165	4974	4460
<I/σ(I)>	12.31	37	1.2
Completeness [%]	99.0	98.6	95.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.07	277	NANODROP, 28.6% 2-Methyl-2,4-pentanediol, 0.2M Lithium sulfate, 0.1M MES pH 6.07, VAPOR DIFFUSION, SITTING DROP, temperature 277K