3FMR

Crystal structure of an Encephalitozoon cuniculi methionine aminopeptidase type 2 with angiogenesis inhibitor TNP470 bound

Replaces:  3D0D

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-01-25
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0809
Spacegroup name	P 1 21 1
Unit cell lengths	61.977, 94.067, 66.407
Unit cell angles	90.00, 99.33, 90.00

Refinement procedure

Resolution	50.000 - 2.890
R-factor	0.183
Rwork	0.178
R-free	0.26600
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3fm3
RMSD bond length	0.009
RMSD bond angle	1.209
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	REFMAC (5.4.0069)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.000
High resolution limit [Å]	2.890	6.240	2.890
Rmerge	0.173	0.117	0.473
Number of reflections	16725
<I/σ(I)>	7.474
Completeness [%]	99.2	98.8	98.8
Redundancy	5.3	5.2	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	27% PEG 4000, 0.2M Ammonium sulfate, 0.5mM TNP470. Cryosolution: 30% PEG 4000, 0.2M Ammonium sulfate, 10% MPD, VAPOR DIFFUSION, SITTING DROP, temperature 293K