1M3W

Crystal Structure of a Molecular Maquette Scaffold

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	2000-04-12
Detector	BRANDEIS
Wavelength(s)	0.98245, 1.00191, 1.009757
Spacegroup name	P 1 21 1
Unit cell lengths	26.900, 48.800, 46.700
Unit cell angles	90.00, 104.70, 90.00

Refinement procedure

Resolution	9.990 - 2.800
R-factor	0.234
Rwork	0.234
R-free	0.27800
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.830
High resolution limit [Å]	2.730	2.730
Number of reflections	3188
<I/σ(I)>	23.3	12
Completeness [%]	86.4	96.1
Redundancy	2.9	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4 *	28 *	PEG 2000MME, HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 300K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG2000 MME	30 (%(w/v))
2	1	reservoir	HEPES	0.1 (M)	pH7.4