5NBX

ENAH EVH1 in complex with Ac-[2-Cl-F]-PP-[ProM-9]-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	2013-10-19
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.918410
Spacegroup name	C 2 2 2
Unit cell lengths	90.214, 131.615, 35.704
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.190 - 1.650
R-factor	0.168
Rwork	0.167
R-free	0.19530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5n9c
RMSD bond length	0.010
RMSD bond angle	1.256
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]	45.000	1.750
High resolution limit [Å]	1.650	1.650
Rmeas	0.086	0.746
Number of reflections	25469	3505
<I/σ(I)>	12.73	1.58
Completeness [%]	97.3	85.3
Redundancy	4.1	2.8
CC(1/2)	0.998	0.607

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293.15	2.0M ammonium sulfate, 300mM potassium bromide