7A14

CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GSK2218325A (COMPOUND 32)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-06-05
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	87.343, 100.812, 99.047
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.900 - 2.140
R-factor	0.1809
Rwork	0.179
R-free	0.21470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oaz
RMSD bond length	0.008
RMSD bond angle	0.920
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	BUSTER (2.11.7 (6-FEB-2020))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.900	2.227
High resolution limit [Å]	2.140	2.140
Rmerge	0.082	0.434
Rmeas	0.089	0.470
Rpim	0.033	0.179
Number of reflections	23219	21398
<I/σ(I)>	19.7	3.9
Completeness [%]	94.8	92.52
Redundancy	7.1	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	200mM potassium phosphate pH 7.4, 100mM MnCl2, 5mM dithiothreitol (DTT) and 25-50% 2-methyl-2,4-pentanediol (MPD)