7A5M

ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-17]-OMe

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-29
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.82656
Spacegroup name	C 2 2 21
Unit cell lengths	35.150, 61.360, 88.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.970 - 0.780
R-factor	0.1202
Rwork	0.119
R-free	0.14000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ncg
RMSD bond length	0.022
RMSD bond angle	2.377
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.680	0.850
High resolution limit [Å]	0.780	0.780
Rmeas	0.051	2.810
Number of reflections	106735	23284
<I/σ(I)>	23.08	1.1
Completeness [%]	97.7	94.7
Redundancy	19	16
CC(1/2)	1.000	0.539

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	300.15	1.90M ammonium sulfate, 360mM ammonium nitrate