1PUF

Crystal Structure of HoxA9 and Pbx1 homeodomains bound to DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2000-09-27
Detector	ADSC QUANTUM 4
Spacegroup name	C 2 2 21
Unit cell lengths	60.769, 114.853, 108.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 1.900
R-factor	0.233
Rwork	0.233
R-free	0.26900 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1b72
RMSD bond length	0.010
RMSD bond angle	18.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	20.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.065 *	0.260 *
Number of reflections	28839
<I/σ(I)>	22.3	4.9
Completeness [%]	95.7 *	94.1
Redundancy	4.3	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5	20 *	PEG 4000, hepes, cobaltic hexamine, dithiothrietol, EDTA, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K, pH 7.50

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	PEG 4000
10	1	2	EDTA
11	1	2	dithiothrietol
12	1	2	H2O
2	1	1	hepes
3	1	1	cobaltic hexamine
4	1	1	dithiothrietol
5	1	1	EDTA
6	1	1	H2O
7	1	2	PEG 4000
8	1	2	hepes
9	1	2	cobaltic hexamine

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	HEPES	10 (mM)	pH7.5
2	1	drop	dithiothreitol	1 (mM)
3	1	drop	EDTA	1 (mM)
4	1	reservoir	PEG1000	11 (%)
5	1	reservoir	Tris	100 (mM)	pH8.0
6	1	reservoir	cobalt hexamine	4 (mM)