7AKI

ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-1]-NH2

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	2019-12-14
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9184
Spacegroup name	C 2 2 21
Unit cell lengths	34.700, 60.690, 89.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.530 - 1.360
R-factor	0.203
Rwork	0.201
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5n91
RMSD bond length	0.011
RMSD bond angle	1.643
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.530	1.470
High resolution limit [Å]	1.360	1.360
Rmeas	0.131
Number of reflections	20643	4246
<I/σ(I)>	11.48
Completeness [%]	100.0	100
Redundancy	14.2	14.5
CC(1/2)	0.999	0.273

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	300.15	1.541M ammonium sulfate, 564mM potassium bromide