6RCJ

ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-15]-OMe

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	2016-12-10
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9184
Spacegroup name	C 2 2 2
Unit cell lengths	43.995, 141.524, 34.726
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.012 - 1.350
R-factor	0.1728
Rwork	0.171
R-free	0.20170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5n91
RMSD bond length	0.020
RMSD bond angle	1.877
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.012	1.430
High resolution limit [Å]	1.350	1.350
Rmeas	0.080
Number of reflections	24264	3860
<I/σ(I)>	13.69	1.21
Completeness [%]	99.4	99.5
Redundancy	6.5	6.4
CC(1/2)	0.999	0.563

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	300.15	1.8M ammonium sulfate, 240mM ammonium nitrate