9P4E

Crystal Structure of Engineered glutamine binding protein and a Gd-DOTA ligand - no GLN bound

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-24
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97946
Spacegroup name	P 63 2 2
Unit cell lengths	128.161, 128.161, 119.828
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.950 - 2.020
R-factor	0.1916
Rwork	0.190
R-free	0.22560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.994
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.21.2_5419+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.950	2.090
High resolution limit [Å]	2.020	2.020
Rmeas	0.061	1.202
Number of reflections	38379	3743
<I/σ(I)>	23.81
Completeness [%]	99.2
Redundancy	13.19
CC(1/2)	1.000	0.802

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291.15	50 mM Tris (pH=7.5), 0.2 M Ammonium Sulfate, 30% PEG 4000