5NCG

ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-9]-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	2013-11-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918410
Spacegroup name	P 21 21 21
Unit cell lengths	35.024, 61.266, 89.258
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.604 - 1.020
R-factor	0.1259
Rwork	0.125
R-free	0.14940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5n9c
RMSD bond length	0.013
RMSD bond angle	1.715
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]	36.073	1.080
High resolution limit [Å]	1.020	1.020
Number of reflections	172743	26288
<I/σ(I)>	12.4	2.49
Completeness [%]	91.4	86
Redundancy	3	2.9
CC(1/2)	0.999	0.801

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293.15	2.2M ammonium sulfate, 200mM ammonium nitrate