1B72

PBX1, HOMEOBOX PROTEIN HOX-B1/DNA TERNARY COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-10-15
Detector	RIGAKU RAXIS IV
Spacegroup name	P 21 21 21
Unit cell lengths	58.670, 64.580, 81.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.350
R-factor	0.243
Rwork	0.243
R-free	0.27700
Structure solution method	MIR
RMSD bond length	0.006
RMSD bond angle	16.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS (0.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.430
High resolution limit [Å]	2.350	2.350
Rmerge	0.033 *	0.248 *
Number of reflections	13735
<I/σ(I)>	27.2	7.7
Completeness [%]	99.7	99.7
Redundancy	5.7	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8		equal volume of protein and reservoir solution were used for the drop *

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	TRIS
2	1	1	PEG 1000
3	1	1	CO(NH3)6

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	HEPES	10 (mM)
2	1	drop	EDTA	1 (mM)
3	1	drop	dithiothreitol	1 (mM)
4	1	drop		0.001 (%)
5	1	reservoir	Tris-HCl	100 (mM)
6	1	reservoir	cobaltic hexamine chloride	5 (mM)
7	1	reservoir	PEG1000	12 (%)
8	1	drop	protein-DNA comples		protein was mixed with lyophilized DNA in a molar ration of 1:1:1.5 HoxB1:Pbx1:DNA