4P4E

X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor MP1D

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-23
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.000
Spacegroup name	I 2 2 2
Unit cell lengths	101.749, 130.680, 159.522
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.290 - 1.670
R-factor	0.15437
Rwork	0.154
R-free	0.18313
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.019
RMSD bond angle	1.687
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	1.670
Number of reflections	118838
<I/σ(I)>	20
Completeness [%]	96.9
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	33% (v/v) pentaerythritol propoxylate PO/OH 5/4, 0.5 % (w/v) PEG 3350, and 100 mM Tris-HCl, pH 8.0