5LYX

CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX; WITH AN INHIBITOR 5-((R)-1-[1,2,4]Triazolo[1,5-a]pyrimidin-7-yl-pyrrolidin-2-ylmethoxy)-isoquinoline

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-30
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.00000
Spacegroup name	C 2 2 21
Unit cell lengths	89.215, 99.944, 100.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.780 - 1.900
R-factor	0.196
Rwork	0.195
R-free	0.21700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.030
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	BUSTER-TNT (2.11.6)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.000		1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.062	0.021	0.800
Number of reflections	35850
<I/σ(I)>	17.37	60.32	1.66
Completeness [%]	99.9	98.7	100
Redundancy	6.63
CC(1/2)	0.999	0.999	0.785

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	20% methanol, 0.1 M citrate