1LQA

TAS PROTEIN FROM ESCHERICHIA COLI IN COMPLEX WITH NADPH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2001-12-08
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0072
Spacegroup name	P 21 21 21
Unit cell lengths	58.300, 81.460, 145.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.600 *
R-factor	0.14634
Rwork	0.145
R-free	0.18600 *
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.800 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.640
High resolution limit [Å]	1.600	1.600
Rmerge	0.063 *	0.175
Number of reflections	160862 *
<I/σ(I)>	23.8	4.1
Completeness [%]	92.0 *	57.8
Redundancy	3.3 *	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	295	0.1M Tris, 15% PEG8000, 50mM Ammonium Sulfate, 0.2M Magnesium Chloride, 10mM NADPH, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Tris	0.1 (M)	pH8.5
2	1	reservoir	PEG8000	15 (%)
3	1	reservoir	ammonium sulfate	50 (mM)
4	1	reservoir		0.2 (M)