8BO8

X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with an inhibitor P17

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	PIXEL
Collection date	2021-07-22
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.918
Spacegroup name	I 2 2 2
Unit cell lengths	101.887, 130.286, 159.702
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.010 - 1.550
R-factor	0.20284
Rwork	0.202
R-free	0.22636
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5o5t
RMSD bond length	0.015
RMSD bond angle	1.677
Data reduction software	XDS (1.02)
Data scaling software	Aimless (0.7.7)
Phasing software	REFMAC (5.8.0135)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.640
High resolution limit [Å]	1.550	1.550
Rmerge	0.102	2.767
Rpim	0.043
Number of reflections	152978	24349
<I/σ(I)>	10.87	0.54
Completeness [%]	99.8	98.9
Redundancy	6.6
CC(1/2)	0.998	0.449

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	34% (v/v) pentaerythritol propoxylate PO/OH 5/4 1 % (w/v) PEG 3350 100 mM Tris-HCl, pH 8.0