1P7I

CRYSTAL STRUCTURE OF ENGRAILED HOMEODOMAIN MUTANT K52A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	44.664, 51.176, 108.253
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 2.100
R-factor	0.20156
Rwork	0.200
R-free	0.24000 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1enh
RMSD bond length	0.011
RMSD bond angle	1.290 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.077	0.194
Total number of observations	59319 *
Number of reflections	14092 *
<I/σ(I)>	13.4	4.8
Completeness [%]	98.3 *	91 *
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	20 *	30% PEG 3000, 100mM 2-(cyclohexylamino)ethanesulfonic acid (CHES), pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	40 (mg/ml)
2	1	reservoir	PEG3000	30 (%(w/v))
3	1	reservoir	CHES	100 (mM)	pH9.5