1OYX

CRYSTAL STRUCTURE OF 3-MBT REPEATS OF LETHAL (3) MALIGNANT BRAIN TUMOR (SELENO-MET) AT 1.85 ANGSTROM

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-ID-B
Synchrotron site	APS
Beamline	14-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2002-09-15
Wavelength(s)	1.06334, 0.97935, 0.97914, 0.95668
Spacegroup name	P 32
Unit cell lengths	105.656, 105.656, 90.369
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 * - 1.850
R-factor	0.20853
Rwork	0.207
R-free	0.23800 *
RMSD bond length	0.017
RMSD bond angle	1.580 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	REFMAC (5.1.13)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.900
High resolution limit [Å]	1.850	1.850
Rmerge	0.059	0.550
Number of reflections	88637 *	4088 *
Completeness [%]	97.0 *	94.2 *
Redundancy	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	6.5	20 *	PEG MME 5000, MES, DTT, ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	dithiothreitol	100 (mM)
2	1	reservoir	MES	100 (mM)	pH6.5
3	1	reservoir	ammonium sulfate	0.15 (mM)
4	1	reservoir	PEG5000 MME	20 (%)
5	1	reservoir	dithiothreitol	10 (mM)