4MY6

EnaH-EVH1 in complex with peptidomimetic low-molecular weight inhibitor Ac-[2-Cl-F]-[ProM-2]-[ProM-1]-OH

Experimental procedure

Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Detector technology	CCD
Collection date	2012-06-22
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.91841
Spacegroup name	C 2 2 2
Unit cell lengths	89.830, 131.420, 35.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.064 - 1.700
Rwork	0.189
R-free	0.23820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1evh
Data scaling software	SCALA
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	1.740
High resolution limit [Å]	1.700	1.700
Rmerge	0.074	0.589
Number of reflections	23659
<I/σ(I)>	4.02	2.35
Completeness [%]	99.8	99.9
Redundancy		4.11

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	2.2M ammonium sulphate, 200mM ammonium bromide, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 298K