6RCF

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

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	2018-07-11
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9184
Spacegroup name	C 2 2 2
Unit cell lengths	43.384, 141.461, 34.795
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.477 - 1.100
R-factor	0.167
Rwork	0.165
R-free	0.20090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5n91
RMSD bond length	0.019
RMSD bond angle	1.691
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.477	1.170
High resolution limit [Å]	1.100	1.100
Rmeas	0.093
Number of reflections	42538	6649
<I/σ(I)>	9.43	0.55
Completeness [%]	96.5	94.4
Redundancy	6.5	6.6
CC(1/2)	0.999	0.278

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	300.15	1.27M ammonium sulfate, 1000mM ammonium nitrate