5NCF

ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-4]-OH

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	2014-02-14
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.918409
Spacegroup name	P 1
Unit cell lengths	34.715, 43.364, 44.181
Unit cell angles	60.97, 84.19, 84.16

Refinement procedure

Resolution	38.560 - 1.400
R-factor	0.2753
Rwork	0.219
R-free	0.25750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5n9c
RMSD bond length	0.009
RMSD bond angle	1.156
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]	38.560	1.480
High resolution limit [Å]	1.400	1.400
Rmeas	0.073	0.995
Number of reflections	41864	6668
<I/σ(I)>	10.39	1.12
Completeness [%]	94.6	93.3
Redundancy	2.3	2.3
CC(1/2)	0.999	0.602

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293.15	1.9M ammonium sulfate, 200mM ammonium nitrate