2FUR

CRYSTAL STRUCTURE OF A PUTATIVE FMN-BINDING PROTEIN (TA1372) FROM THERMOPLASMA ACIDOPHILUM 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	2005-12-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9797, 1.0000, 0.9796
Spacegroup name	P 21 21 21
Unit cell lengths	61.040, 66.690, 99.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.260 - 1.800
R-factor	0.188
Rwork	0.186
R-free	0.23100
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.548
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.260		1.860
High resolution limit [Å]	1.800	3.870	1.800
Rmerge	0.085	0.715	0.715
Number of reflections	38245	7281	5012
<I/σ(I)>	7.38	19.99	1.6
Completeness [%]	92.0	98.6	72.9
Redundancy	1.91		1.89

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP, NANODROP	5	277	10.0% PEG-6000, 0.1M Acetate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K