5NCP

ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-12]-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	2016-05-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918409
Spacegroup name	C 2 2 2
Unit cell lengths	44.141, 141.367, 34.706
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.135 - 1.650
R-factor	0.1856
Rwork	0.184
R-free	0.20830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ncg
RMSD bond length	0.009
RMSD bond angle	1.268
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]	42.135	1.750
High resolution limit [Å]	1.650	1.650
Rmeas	0.200	2.106
Number of reflections	13548	2144
<I/σ(I)>	9.14	0.97
Completeness [%]	99.9	100
Redundancy	8.5	8.4
CC(1/2)	0.997	0.433

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293.15	1.7M ammonium sulfate, 180mM ammonium nitrate