5ELY

X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a hydroxamate inhibitor JHU242

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	2011-03-12
Detector	RAYONIX MX-225
Wavelength(s)	0.91841
Spacegroup name	I 2 2 2
Unit cell lengths	101.060, 130.827, 158.386
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.810
R-factor	0.1777
Rwork	0.177
R-free	0.19860
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.019
RMSD bond angle	1.658
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.870	1.870
High resolution limit [Å]	1.810	1.810
Number of reflections	95135
<I/σ(I)>	25.42
Completeness [%]	99.5
Redundancy	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	288	33% (v/v) pentaerythritol propoxylate PO/OH 5/4, 2 % (w/v) PEG 3350, and 100 mM Tris-HCl, pH 8.0