7A15

CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GSK2224863A (COMPOUND 42)

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	2008-07-02
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	89.282, 100.820, 99.411
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.670 - 2.150
R-factor	0.162
Rwork	0.160
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oaz
RMSD bond length	0.010
RMSD bond angle	1.060
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.670	2.227
High resolution limit [Å]	2.150	2.150
Rmerge	0.104	0.475
Rmeas	0.117	0.539
Rpim	0.053	0.248
Number of reflections	24256	2447
<I/σ(I)>	14.3	3.4
Completeness [%]	97.9	99.63
Redundancy	4.7	4.5

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)