5N9C

ENAH EVH1 in complex with Ac-[2-Cl-F]-PP-[ProM-1]-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	2013-07-03
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.918409
Spacegroup name	P 1
Unit cell lengths	34.761, 43.386, 43.593
Unit cell angles	61.40, 84.03, 84.10

Refinement procedure

Resolution	37.122 - 1.160
R-factor	0.1401
Rwork	0.139
R-free	0.16910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5n91
RMSD bond length	0.013
RMSD bond angle	1.701
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]	38.200	1.230
High resolution limit [Å]	1.160	1.160
Rmeas	0.048	0.517
Number of reflections	71797	12432
<I/σ(I)>	11.24	1.86
Completeness [%]	93.1	90
Redundancy	2	1.9
CC(1/2)	0.999	0.826

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293.15	1.8M ammonium sulfate, 200mM potassium nitrate