8BOL

X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with an inhibitor P18

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	2021-10-20
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.918
Spacegroup name	I 2 2 2
Unit cell lengths	101.686, 130.248, 159.501
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.010 - 1.550
R-factor	0.19292
Rwork	0.192
R-free	0.21350
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5o5t
RMSD bond length	0.014
RMSD bond angle	1.622
Data reduction software	XDS
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]	50.010	1.640
High resolution limit [Å]	1.550	1.550
Rmerge	0.082	1.663
Rmeas	0.089
Number of reflections	152652	24271
<I/σ(I)>	12.82
Completeness [%]	99.8	98.9
Redundancy	6.6	6.2
CC(1/2)	0.999	0.664

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