3CMY

Structure of a homeodomain in complex with DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12B
Synchrotron site	NSLS
Beamline	X12B
Temperature [K]	100
Detector technology	CCD
Collection date	2008-01-25
Detector	ADSC QUANTUM 4
Wavelength(s)	1.000
Spacegroup name	C 2 2 21
Unit cell lengths	43.325, 62.243, 92.556
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.500 - 1.950
R-factor	0.17422
Rwork	0.172
R-free	0.21266
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	IFJL
RMSD bond length	0.010
RMSD bond angle	1.533
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.4.0069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.020
High resolution limit [Å]	1.950	1.950
Number of reflections	9726
<I/σ(I)>	27	3
Completeness [%]	99.7	100
Redundancy	7.6	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	293	19-22% polyethylene glycol 8000, 100 mM ammonium sulphate, 20mM magnesium chloride, 15% 2-methyl-2,4-pentanediol, 50 mM 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid, pH 7.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	polyethylene glycol 8000
10	1	2	2-methyl-2,4-pentanediol
11	1	2	4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid
12	1	2	H2O
2	1	1	ammonium sulphate
3	1	1	magnesium chloride
4	1	1	2-methyl-2,4-pentanediol
5	1	1	4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid
6	1	1	H2O
7	1	2	polyethylene glycol 8000
8	1	2	ammonium sulphate
9	1	2	magnesium chloride