4NGT

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	101.543, 130.297, 159.864
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.190 - 2.310
R-factor	0.1785
Rwork	0.176
R-free	0.22320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	2.033
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]	47.190		2.450
High resolution limit [Å]	2.310	6.860	2.310
Rmerge	0.098	0.033	0.470
Rmeas		0.038	0.534
Number of reflections	46307	1871	7295
<I/σ(I)>	13.12	34.31	3.64
Completeness [%]	98.9	97.2	97.6

Crystallization Conditions

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