6H7Y

X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 1-79-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	90
Detector technology	PIXEL
Collection date	2018-03-08
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.918
Spacegroup name	I 2 2 2
Unit cell lengths	102.258, 131.376, 159.874
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.260 - 1.810
R-factor	0.15045
Rwork	0.150
R-free	0.17756
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3bi1
RMSD bond length	0.017
RMSD bond angle	1.802
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.920
High resolution limit [Å]	1.810	1.810
Rmerge	0.073	0.849
Rmeas	0.079	0.930
Number of reflections	96547	14624
<I/σ(I)>	16.17	1.94
Completeness [%]	98.8	93.4
Redundancy	6.7	6
CC(1/2)	0.999	0.871

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	33% (v/v) pentaerythritol propoxylate PO/OH 5/4, 2 % (w/v) PEG 3350, 100 mM Tris-HCl, pH 8.0