9P4D

Crystal Structure of Engineered glutamine binding protein and a Gd-DOTA ligand - 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	2025-01-15
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97949
Spacegroup name	P 65
Unit cell lengths	221.437, 221.437, 79.558
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.500 - 2.570
R-factor	0.2125
Rwork	0.211
R-free	0.23440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	2.480
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]	40.000	2.660
High resolution limit [Å]	2.570	2.570
Rmeas	0.124	0.934
Number of reflections	70746	6979
<I/σ(I)>	14.79
Completeness [%]	99.6
Redundancy	9.6
CC(1/2)	0.999	0.886

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.6	291.15	0.17 M Ammonium Sulfate, 0.1 M Sodium Acetate, 25% W/V PEG-MME 2000