5ND0

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-09-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918409
Spacegroup name	C 1 2 1
Unit cell lengths	149.740, 44.243, 34.832
Unit cell angles	90.00, 101.47, 90.00

Refinement procedure

Resolution	42.360 - 1.450
R-factor	0.1836
Rwork	0.182
R-free	0.20490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ncg
RMSD bond length	0.004
RMSD bond angle	0.977
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.360	1.540
High resolution limit [Å]	1.450	1.450
Rmeas	0.113	1.044
Number of reflections	39592	6309
<I/σ(I)>	7.69	1.32
Completeness [%]	99.4	99.2
Redundancy	3.3	3.1
CC(1/2)	0.996	0.518

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	300.15	1.7M ammonium sulfate, 800mM ammonium nitrate