1VR9

CRYSTAL STRUCTURE OF A CBS DOMAIN PAIR/ACT DOMAIN PROTEIN (TM0892) FROM THERMOTOGA MARITIMA AT 1.70 A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-01-21
Detector	ADSC
Spacegroup name	C 1 2 1
Unit cell lengths	228.040, 52.647, 44.161
Unit cell angles	90.00, 100.44, 90.00

Refinement procedure

Resolution	37.810 - 1.700
R-factor	0.24687
Rwork	0.246
R-free	0.26992
Structure solution method	MAD + MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.281
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.810	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.088	0.278
Number of reflections	45259
<I/σ(I)>	20.66	2.45
Completeness [%]	81.6	73.13
Redundancy	3.16	1.96

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP, NANODROP	7.5	277	20.0% PEG-8000, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K
1	VAPOR DIFFUSION, SITTING DROP, NANODROP	7.5	277	20.0% PEG-8000, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K
1	VAPOR DIFFUSION, SITTING DROP, NANODROP	7.5	277	20.0% PEG-8000, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K