5NDU

ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-12]-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	2016-01-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918409
Spacegroup name	C 1 2 1
Unit cell lengths	136.150, 34.570, 44.240
Unit cell angles	90.00, 96.93, 90.00

Refinement procedure

Resolution	43.917 - 1.420
R-factor	0.1729
Rwork	0.171
R-free	0.19940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ncg
RMSD bond length	0.017
RMSD bond angle	1.740
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]	43.938	1.500
High resolution limit [Å]	1.420	1.420
Rmeas	0.120	1.714
Number of reflections	38981	5881
<I/σ(I)>	11.36	1.25
Completeness [%]	99.9	99.9
Redundancy	6.4	5.8
CC(1/2)	0.999	0.593

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293.15	2.0M ammonium sulfate, 220mM ammonium nitrate