2HTI

CRYSTAL STRUCTURE OF A FLAVIN-NUCLEOTIDE-BINDING PROTEIN (BH_0577) FROM BACILLUS HALODURANS AT 2.50 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	2006-06-05
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.92522,0.97934
Spacegroup name	P 61 2 2
Unit cell lengths	72.170, 72.170, 129.981
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.831 - 2.500
R-factor	0.21
Rwork	0.208
R-free	0.26200
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.547
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.831	28.830	2.480
High resolution limit [Å]	2.300	10.820	2.420
Rmerge	0.098	0.015	0.015
Total number of observations		1110	8447
Number of reflections	7389
<I/σ(I)>	5.2	12.5	0.5
Completeness [%]	99.7	94.1	99.7
Redundancy	13.6	9.6	14.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1			293	22.0% PEG-3350, 0.15M NaThioCyanate, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 293K