4NGR

Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	OTHER
Temperature [K]	120
Detector technology	IMAGE PLATE
Detector	Mar2300
Wavelength(s)	1.54
Spacegroup name	I 2 2 2
Unit cell lengths	101.104, 130.048, 158.454
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.810 - 1.900
R-factor	0.1776
Rwork	0.176
R-free	0.21610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	2.000
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.810		2.020
High resolution limit [Å]	1.900	5.660	1.900
Rmerge	0.084	0.023	0.623
Rmeas		0.026	0.712
Number of reflections	81583	3233	12669
<I/σ(I)>	15.63	51.68	2.64
Completeness [%]	99.3	97.8	96.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	289	Tris-HCl, PEG 3350, pentaerythritol propoxylate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K