1P8C

Crystal structure of TM1620 (APC4843) from Thermotoga maritima

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2002-09-02
Detector	SBC-2
Wavelength(s)	0.97942
Spacegroup name	P 21 21 21
Unit cell lengths	65.819, 82.541, 135.397
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.100 - 2.300
R-factor	0.225
Rwork	0.225
R-free	0.29000
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.400
Data reduction software	d*TREK
Data scaling software	HKL-2000
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.230
High resolution limit [Å]	2.150	2.150
Rmerge	0.083	0.650
Number of reflections	39155
<I/σ(I)>	10.6	1.8
Completeness [%]	96.0	90.7
Redundancy	6.5	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	potassium citrate, PEG 3350, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	potassium citrate, PEG 3350, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K