5D29

X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a hydroxamate inhibitor JHU241

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-11
Detector	RAYONIX MX-225
Wavelength(s)	0.91841
Spacegroup name	I 2 2 2
Unit cell lengths	100.191, 130.459, 157.196
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.820 - 1.800
R-factor	0.1758
Rwork	0.174
R-free	0.20490
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.020
RMSD bond angle	1.739
Data reduction software	DENZO
Data scaling software	XSCALE
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.910
High resolution limit [Å]	1.800	1.800
Rmerge	0.062	0.683
Number of reflections	95135
<I/σ(I)>	20.24	2.72
Completeness [%]	99.7	99.3
Redundancy	5.83

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	288	34% (v/v) pentaerythritol propoxylate PO/OH 5/4, 2 % (w/v) PEG 3350, and 100 mM Tris-HCl, pH 8.0