5NBF

ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-3]-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	2015-07-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918409
Spacegroup name	P 1 2 1
Unit cell lengths	34.607, 38.251, 44.002
Unit cell angles	90.00, 90.59, 90.00

Refinement procedure

Resolution	25.662 - 1.150
R-factor	0.1381
Rwork	0.137
R-free	0.16150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5n9c
RMSD bond length	0.013
RMSD bond angle	1.410
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]	44.000	1.220
High resolution limit [Å]	1.150	1.150
Rmeas	0.045	0.782
Number of reflections	38436	6060
<I/σ(I)>	13.15
Completeness [%]	93.5	92
Redundancy	2.2	2.1
CC(1/2)	0.999	0.591

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293.15	2.1M ammonium sulfate, 180mM ammonium nitrate