3OHE

Crystal structure of a Histidine triad protein (Maqu_1709) from Marinobacter aquaeolei VT8 at 1.20 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-05
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97954,0.97936
Spacegroup name	P 21 21 21
Unit cell lengths	36.024, 80.485, 99.445
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.426 - 1.200
R-factor	0.1294
Rwork	0.128
R-free	0.15350
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.575
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.426	27.426	1.240
High resolution limit [Å]	1.200	2.580	1.200
Rmerge	0.057	0.025	0.520
Number of reflections	90934	17115	15828
<I/σ(I)>	9.16	28	1.8
Completeness [%]	98.7	97.3	96.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	0.1600M Ca(OAc)2, 20.0000% Glycerol, 14.4000% PEG-8000, 0.1M Cacodylate pH 6.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K