2OA2

Crystal structure of BH2720 (10175341) from Bacillus halodurans at 1.41 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	2006-11-19
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97971, 0.97925
Spacegroup name	P 41 21 2
Unit cell lengths	68.610, 68.610, 60.106
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.507 - 1.410
R-factor	0.166
Rwork	0.165
R-free	0.18900
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.709
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.507		1.460
High resolution limit [Å]	1.410	2.410	1.410
Rmerge	0.051	0.051	0.457
Number of reflections	26400
<I/σ(I)>	21.48	42.8	2.6
Completeness [%]	91.5	99.9	59.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP, NANODROP	6	277	10.0% MPD, 0.1M MES pH 6.0, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K